UCSF

ZINC58165234

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 31 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) 3.07 8.33 -14.54 1 8 0 88 442.541 7
Mid Mid (pH 6-8) 3.53 7.92 -44.84 1 8 0 92 442.541 7

Activity (Go SEA)

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