UCSF

ZINC43154038

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 42 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) 1.73 3.82 -48.74 3 12 -1 179 589.662 6
Mid Mid (pH 6-8) 1.10 5.93 -14.96 4 12 0 173 590.67 6

Activity (Go SEA)

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