UCSF

ZINC42864052

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 3.20 8.48 -54.77 1 4 -1 69 282.404 6
Lo Low (pH 4.5-6) 3.20 6.62 -10.25 2 4 0 66 283.412 6

Activity (Go SEA)

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