UCSF

ZINC38696263

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 22 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) 3.36 10.37 -52.47 0 4 -1 60 306.426 2
Lo Low (pH 4.5-6) 3.36 8.45 -10.7 1 4 0 58 307.434 2

Activity (Go SEA)

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