UCSF

ZINC55072511

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 34 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) 4.00 11.33 -46.39 1 7 1 62 490.02 8
Mid Mid (pH 6-8) 4.00 11.4 -37.99 1 7 1 62 490.02 8
Mid Mid (pH 6-8) 4.00 9.31 -12.11 0 7 0 60 489.012 8

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.