UCSF

ZINC37872162

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 0.23 1.13 -8.25 2 4 0 51 233.267 4
Mid Mid (pH 6-8) 0.23 2.56 -46.18 3 4 1 55 234.275 4

Activity (Go SEA)

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