UCSF

ZINC34829749

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 5.68 16.95 -48.93 1 5 1 45 516.731 6
Mid Mid (pH 6-8) 5.68 15.24 -14.14 0 5 0 44 515.723 6

Activity (Go SEA)

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