UCSF

ZINC95883414

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 15 Yes

Other Names:

MFCD00132998

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) 1.04 1.3 -32.81 0 5 -1 64 202.241 3
Mid Mid (pH 6-8) 1.04 2.29 -7.02 1 5 0 61 203.249 3
Lo Low (pH 4.5-6) 1.04 2.69 -37.63 2 5 1 63 204.257 3

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

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