UCSF

ZINC20031117

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 18 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) 3.61 8.87 -10.52 0 3 0 27 258.708 2
Lo Low (pH 4.5-6) 3.61 9.37 -25.08 1 3 1 28 259.716 2

Activity (Go SEA)

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