UCSF

ZINC36913549

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 1.31 2.81 -85.32 6 5 2 86 270.336 3
Mid Mid (pH 6-8) 1.31 2.38 -43.96 5 5 1 85 269.328 3

Activity (Go SEA)

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