UCSF

ZINC33705253

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 39 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) 3.59 13.48 -19.69 0 7 0 66 525.649 10
Mid Mid (pH 6-8) 3.59 15.84 -65.16 1 7 1 67 526.657 10

Activity (Go SEA)

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