UCSF

ZINC37097111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 0.73 3.17 -96.05 4 3 2 41 188.315 7
Hi High (pH 8-9.5) 0.73 3.71 -38.64 3 3 1 44 187.307 7
Hi High (pH 8-9.5) 0.73 1.67 -31.13 3 3 1 37 187.307 7

Activity (Go SEA)

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