UCSF

ZINC61415924

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 19 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) -0.07 1.63 -39.11 1 7 -1 95 253.245 3
Lo Low (pH 4.5-6) -0.07 1.78 -13.9 2 7 0 96 254.253 3

Activity (Go SEA)

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

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