UCSF

ZINC44725332

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 21 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 3.34 -115.8 5 5 2 78 311.451 6
Hi High (pH 8-9.5) 0.72 0.96 -57.86 4 5 1 77 310.443 6
Hi High (pH 8-9.5) 0.72 3.91 -43.75 4 5 1 77 310.443 6

Activity (Go SEA)

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