UCSF

ZINC33025705

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 34 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) 5.36 14.2 -12.09 0 6 0 54 475.662 6
Mid Mid (pH 6-8) 5.36 16.42 -49.02 1 6 1 55 476.67 6

Activity (Go SEA)

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