UCSF

ZINC48044413

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 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) 1.39 5.5 -34.16 1 4 1 40 216.301 8
Mid Mid (pH 6-8) 1.39 3.78 -7.33 0 4 0 39 215.293 8

Activity (Go SEA)

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