UCSF

ZINC54931624

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 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) 0.70 1.08 -40.71 2 3 1 29 183.275 1
Hi High (pH 8-9.5) 0.70 -0.6 -2.28 1 3 0 24 182.267 1
Lo Low (pH 4.5-6) 0.70 1.38 -33.07 2 3 1 26 183.275 1

Activity (Go SEA)

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

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