UCSF

ZINC37869966

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 14 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) 1.70 0.49 -5.13 3 3 0 55 233.098 3
Mid Mid (pH 6-8) 1.70 2.37 -40.09 4 3 1 60 234.106 3

Activity (Go SEA)

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