UCSF

ZINC20293400

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 25 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) 2.66 9.51 -42.89 1 4 1 28 344.523 5
Mid Mid (pH 6-8) 2.66 12.25 -101.59 2 4 2 29 345.531 5
Lo Low (pH 4.5-6) 2.66 9.68 -39.75 1 4 1 28 344.523 5

Activity (Go SEA)

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