UCSF

ZINC20120660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 2.63 5.22 -3.25 1 3 0 24 274.408 4
Mid Mid (pH 6-8) 2.63 6.37 -38.84 2 3 1 29 275.416 4
Lo Low (pH 4.5-6) 2.63 7.09 -35.11 2 3 1 26 275.416 4

Activity (Go SEA)

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