UCSF

ZINC54039247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 24 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) 0.86 7.89 -46.36 2 6 1 68 327.408 6
Mid Mid (pH 6-8) 0.86 7.86 -21.86 1 6 0 67 326.4 6

Activity (Go SEA)

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