UCSF

ZINC05924328

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 13 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) 2.20 6.82 -28.81 1 3 1 31 188.291 7
Mid Mid (pH 6-8) 2.20 5.07 -3.27 0 3 0 30 187.283 7

Activity (Go SEA)

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