UCSF

ZINC37388610

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 15 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) -0.24 0.35 -6.8 1 5 0 51 216.281 7
Mid Mid (pH 6-8) -0.24 2.62 -39.72 2 5 1 52 217.289 7
Mid Mid (pH 6-8) -0.24 1.7 -45.11 2 5 1 55 217.289 7
Lo Low (pH 4.5-6) -0.24 3.97 -109.75 3 5 2 57 218.297 7

Activity (Go SEA)

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