UCSF

ZINC05863971

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 1.84 3.2 -9.64 1 4 0 59 248.307 3
Mid Mid (pH 6-8) 1.84 3.36 -44.34 0 4 -1 61 247.299 3

Activity (Go SEA)

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