UCSF

ZINC09561586

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 35 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) 7.17 16.59 -12.5 0 4 0 36 483.681 4
Mid Mid (pH 6-8) 7.17 16.64 -43.64 1 4 1 38 484.689 4

Activity (Go SEA)

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