UCSF

ZINC45086266

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 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) 2.19 4.27 -27.25 2 3 1 38 209.313 4
Mid Mid (pH 6-8) 2.19 3.99 -6.2 1 3 0 36 208.305 4

Activity (Go SEA)

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