UCSF

ZINC42454811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.71 6.29 -45.93 3 3 1 54 204.297 4
Mid Mid (pH 6-8) 1.71 4.26 -5.8 2 3 0 53 203.289 4

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Rings

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