UCSF

ZINC34627243

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 22 No

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) 0.81 7.34 -35.93 2 9 1 105 310.334 6
Mid Mid (pH 6-8) 0.81 4.98 -10.83 1 9 0 104 309.326 6

Activity (Go SEA)

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