UCSF

ZINC33809337

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 21 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) 1.88 6.67 -37.71 1 5 1 41 298.403 12
Mid Mid (pH 6-8) 1.88 4.23 -10.32 0 5 0 40 297.395 12

Activity (Go SEA)

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