UCSF

ZINC42767391

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 0.78 3.73 -40.23 4 4 1 68 247.244 5
Mid Mid (pH 6-8) 0.78 5.05 -7.14 3 4 0 66 246.236 5

Activity (Go SEA)

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