UCSF

ZINC36744732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 0.85 1.41 -61 4 7 1 123 294.74 6
Mid Mid (pH 6-8) 0.85 0.02 -14.86 3 7 0 118 293.732 6

Activity (Go SEA)

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