UCSF

ZINC09118513

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 27 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) 2.04 -5.98 -15.39 2 6 0 88 379.441 5
Lo Low (pH 4.5-6) 2.04 -5.87 -49.72 3 6 1 89 380.449 5

Activity (Go SEA)

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