UCSF

ZINC41656221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 3.50 7.93 -52.49 0 4 -1 62 270.308 2
Mid Mid (pH 6-8) 3.50 8.24 -41.53 1 4 0 63 271.316 2

Activity (Go SEA)

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