UCSF

ZINC43709830

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 Yes

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) -0.69 0.84 -53.71 3 7 1 78 299.395 5
Hi High (pH 8-9.5) -0.69 -0.51 -13.36 2 7 0 74 298.387 5
Mid Mid (pH 6-8) -0.69 2.96 -108.26 4 7 2 80 300.403 5

Activity (Go SEA)

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