UCSF

ZINC95092773

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2013 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.81 0.84 -47.27 3 5 1 67 205.241 2
Hi High (pH 8-9.5) 0.81 -0.58 -10.44 2 5 0 63 204.233 2
Mid Mid (pH 6-8) 0.81 0.87 -45.43 3 5 1 67 205.241 2
Mid Mid (pH 6-8) 0.81 1.78 -91.78 4 5 2 69 206.249 2

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

No pre-computed analogs available. Try a structural similarity search.