UCSF

ZINC33106283

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 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) 3.19 5.8 -24.59 2 7 0 84 432.524 7
Mid Mid (pH 6-8) 3.19 8.15 -68.05 3 7 1 85 433.532 7

Activity (Go SEA)

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