UCSF

ZINC34381065

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 15 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) 2.79 7.79 -46.14 0 3 -1 49 207.249 7
Lo Low (pH 4.5-6) 2.79 5.81 -8.71 1 3 0 47 208.257 7

Activity (Go SEA)

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