UCSF

ZINC09485349

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2007 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) 3.58 5.31 -12.37 3 7 0 94 432.455 5
Ref Reference (pH 7) 3.76 7.82 -12.79 3 7 0 91 432.455 5

Activity (Go SEA)

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