UCSF

ZINC34545863

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 0.80 6.07 -112.78 0 4 -2 80 180.159 2
Mid Mid (pH 6-8) 0.80 4.09 -43.55 1 4 -1 77 181.167 2

Activity (Go SEA)

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