UCSF

ZINC34823609

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 18 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) 2.13 8.13 -35.67 2 4 1 38 251.398 7
Lo Low (pH 4.5-6) 2.13 8.26 -89.62 3 4 2 39 252.406 7

Activity (Go SEA)

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