UCSF

ZINC37797112

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.71 5.29 -16.02 1 5 0 55 259.338 4
Mid Mid (pH 6-8) 0.71 6.64 -57.38 2 5 1 60 260.346 4

Activity (Go SEA)

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