UCSF

ZINC21994269

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 16 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) 0.18 0.91 -10.85 3 5 0 82 225.244 5
Mid Mid (pH 6-8) 0.18 1.21 -51.08 4 5 1 83 226.252 5

Activity (Go SEA)

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