UCSF

ZINC26570204

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 26 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) 2.26 10.67 -64.07 0 5 -1 75 351.357 3
Mid Mid (pH 6-8) 2.26 9.78 -30.17 1 5 0 78 352.365 3
Mid Mid (pH 6-8) 2.26 11.05 -90.37 1 5 0 76 352.365 3
Lo Low (pH 4.5-6) 2.26 10.16 -67.48 2 5 1 79 353.373 3

Activity (Go SEA)

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