UCSF

ZINC13116665

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 No

Popular Name: 3-[(3-chlorophenyl)diazenyl]-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-2,8-dione 3-[(3-chlorophenyl)diazenyl]-4,5…

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Other Names:

MFCD05883092

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 3.81 -14.9 2 7 0 95 329.747 2 ↓
Ref Reference (pH 7) 2.39 5.39 -10.27 2 7 0 92 329.747 2 ↓
Ref Reference (pH 7) 2.39 5.6 -12.97 2 7 0 92 329.747 2 ↓
Hi High (pH 8-9.5) 2.85 3.7 -50.42 1 7 -1 95 328.739 2 ↓
Hi High (pH 8-9.5) 4.03 2.14 -129.08 0 7 -2 101 327.731 2 ↓
Hi High (pH 8-9.5) 2.85 3.73 -57.97 1 7 -1 95 328.739 2 ↓
Mid Mid (pH 6-8) 4.03 1.35 -47.62 1 7 -1 98 328.739 2 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )