UCSF

ZINC48797525

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 21 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) 3.00 3.32 -11.35 3 4 0 61 349.228 6
Hi High (pH 8-9.5) 3.00 4.08 -46.49 2 4 -1 64 348.22 6
Hi High (pH 8-9.5) 3.00 5.46 -37.96 3 4 0 69 349.228 6

Activity (Go SEA)

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

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