UCSF

ZINC12833986

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 30 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) 4.77 12.6 -37.5 1 4 1 37 487.487 4
Lo Low (pH 4.5-6) 4.77 13.55 -86.34 2 4 2 39 488.495 4

Activity (Go SEA)

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