UCSF

ZINC00516057

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.76 7.12 -11.5 0 4 0 52 273.295 2
Lo Low (pH 4.5-6) 3.76 7.68 -34.02 1 4 1 53 274.303 2

Activity (Go SEA)

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