UCSF

ZINC12852765

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 31 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) 3.72 9.49 -16.38 1 6 0 69 456.637 4
Lo Low (pH 4.5-6) 3.72 11.66 -62.07 2 6 1 70 457.645 4

Activity (Go SEA)

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