UCSF

ZINC45626660

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 13 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) -1.18 -3.26 -45.77 4 5 1 83 187.219 3
Mid Mid (pH 6-8) -0.99 -5.82 -39.48 3 5 0 89 186.211 3
Mid Mid (pH 6-8) -0.99 -5.8 -39.44 3 5 0 89 186.211 3

Activity (Go SEA)

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