UCSF

ZINC22029467

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 0.59 4.28 -113.35 4 3 2 41 210.321 6
Mid Mid (pH 6-8) 0.59 2.84 -34.59 3 3 1 37 209.313 6

Activity (Go SEA)

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