UCSF

ZINC44510992

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) -0.50 2.2 -108.82 5 3 2 53 188.315 6
Hi High (pH 8-9.5) -0.50 0.84 -38.74 4 3 1 49 187.307 6
Hi High (pH 8-9.5) -0.50 1.87 -38.27 4 3 1 52 187.307 6

Activity (Go SEA)

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