UCSF

ZINC54701088

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 1.60 5.95 -29.07 3 5 1 60 274.323 2
Mid Mid (pH 6-8) 1.60 5.63 -8.83 2 5 0 58 273.315 2
Lo Low (pH 4.5-6) 1.60 6.43 -77.51 4 5 2 61 275.331 2

Activity (Go SEA)

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

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