UCSF

ZINC44648097

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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 1.13 -46.78 5 5 1 89 256.713 5
Hi High (pH 8-9.5) 0.72 -0.23 -15.85 4 5 0 84 255.705 5

Activity (Go SEA)

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