UCSF

ZINC33470900

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 32 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) 4.44 12.76 -60.64 1 6 0 76 440.446 6
Mid Mid (pH 6-8) 4.44 10.5 -61.36 0 6 -1 75 439.438 6

Activity (Go SEA)

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