UCSF

ZINC20135832

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 15 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) 3.24 5.35 -5.68 1 3 0 30 209.337 4
Mid Mid (pH 6-8) 3.24 5.45 -26.33 2 3 1 31 210.345 4

Activity (Go SEA)

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