UCSF

ZINC45665457

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.73 7.57 -99.58 4 3 2 41 321.292 8
Mid Mid (pH 6-8) 3.73 8.33 -71.21 3 3 1 44 320.284 8

Activity (Go SEA)

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