UCSF

ZINC41655119

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 2.38 6.49 -44.89 0 5 -1 75 279.275 3
Lo Low (pH 4.5-6) 2.38 6.95 -62.05 1 5 0 76 280.283 3

Activity (Go SEA)

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