UCSF

ZINC34294018

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 15 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) -2.95 -1.65 -71.68 5 6 0 117 218.253 6
Hi High (pH 8-9.5) -2.95 -1.94 -53.46 4 6 -1 115 217.245 6

Activity (Go SEA)

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

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