UCSF

ZINC43460964

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 No

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) -0.08 0.47 -54.7 6 6 1 110 350.196 3
Hi High (pH 8-9.5) -0.08 0.16 -12.86 5 6 0 108 349.188 3
Mid Mid (pH 6-8) -0.08 0.11 -35.8 5 6 0 108 349.188 3

Activity (Go SEA)

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