UCSF

ZINC20036426

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 14 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 7.28 -34.03 2 1 1 17 261.158 4
Hi High (pH 8-9.5) 3.61 5.92 -1.83 1 1 0 12 260.15 4

Activity (Go SEA)

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