UCSF

ZINC44513477

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) 0.72 4.71 -102.82 4 4 2 50 258.797 3
Hi High (pH 8-9.5) 0.72 2.49 -46.89 3 4 1 49 257.789 3

Activity (Go SEA)

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