UCSF

ZINC37333131

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 Yes

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) 3.33 7.81 -38.91 2 3 1 42 254.325 7
Hi High (pH 8-9.5) 3.33 6.83 -46.02 0 3 -1 43 252.309 7
Hi High (pH 8-9.5) 3.33 5.9 -6.8 1 3 0 41 253.317 7
Mid Mid (pH 6-8) 3.33 8.8 -49.16 1 3 0 45 253.317 7

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Rings

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