UCSF

ZINC34550302

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 37 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) 9.39 20.25 -32.91 1 2 1 27 483.679 10
Mid Mid (pH 6-8) 9.39 19.87 -17.65 0 2 0 26 482.671 10
Mid Mid (pH 6-8) 9.39 20.63 -55.31 2 2 2 28 484.687 10

Activity (Go SEA)

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