UCSF

ZINC41655985

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 3.98 9.38 -52.12 0 3 -1 53 272.299 1
Lo Low (pH 4.5-6) 3.98 9.7 -37.6 1 3 0 54 273.307 1

Activity (Go SEA)

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