UCSF

ZINC36724214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 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) -1.54 5.11 -76.57 1 6 0 68 215.253 2
Mid Mid (pH 6-8) -1.54 2.76 -54.24 0 6 -1 67 214.245 2

Activity (Go SEA)

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