UCSF

ZINC34829619

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 2.75 12.28 -13.33 0 7 0 70 483.634 8
Mid Mid (pH 6-8) 2.75 14 -46.13 1 7 1 71 484.642 8

Activity (Go SEA)

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