UCSF

ZINC08591459

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 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) 5.63 15.64 -24.46 0 9 0 108 524.577 7
Mid Mid (pH 6-8) 1.72 17.38 -27.34 1 9 1 107 525.585 8

Activity (Go SEA)

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