UCSF

ZINC40872397

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 22 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) 3.66 4.56 -45.66 0 4 -1 65 373.262 2
Mid Mid (pH 6-8) 3.66 4.93 -12.55 1 4 0 63 374.27 2

Activity (Go SEA)

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