UCSF

ZINC09828284

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 23 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) 2.91 -3.98 -12.58 2 5 0 75 334.372 3
Hi High (pH 8-9.5) 2.91 -3.4 -37.45 1 5 -1 77 333.364 3

Activity (Go SEA)

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