UCSF

ZINC57496147

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 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) 1.91 6.6 -46.26 0 3 -1 49 209.196 3
Lo Low (pH 4.5-6) 1.91 4.61 -8.56 1 3 0 47 210.204 3

Activity (Go SEA)

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