UCSF

ZINC12553682

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 30 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 8.47 -10.29 0 5 0 30 410.537 5
Mid Mid (pH 6-8) 3.07 10.7 -50.33 1 5 1 31 411.545 5

Activity (Go SEA)

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