UCSF

ZINC43408827

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.76 4.84 -16.61 3 5 0 71 292.408 4
Mid Mid (pH 6-8) 0.76 5.13 -43.55 4 5 1 72 293.416 4

Activity (Go SEA)

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