UCSF

ZINC48567959

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 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) 2.82 6.76 -8.82 0 4 0 42 292.404 7
Mid Mid (pH 6-8) 2.82 8.5 -38.52 1 4 1 44 293.412 7

Activity (Go SEA)

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