UCSF

ZINC04008564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 15 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) 0.61 -0.79 -53.07 3 4 1 71 234.341 2
Mid Mid (pH 6-8) 0.61 -1.91 -12 2 4 0 66 233.333 2

Activity (Go SEA)

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