UCSF

ZINC24381741

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 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) 0.73 4.89 -16.62 1 4 0 47 217.272 3
Mid Mid (pH 6-8) 0.73 5.33 -35.35 2 4 1 48 218.28 3

Activity (Go SEA)

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