UCSF

ZINC24432189

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2009 17 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) 2.42 5.58 -7.35 1 3 0 42 232.327 2
Mid Mid (pH 6-8) 2.49 2.89 -6.65 1 3 0 45 232.327 2

Activity (Go SEA)

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