UCSF

ZINC57998321

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 3.51 7.45 -50.19 1 5 -1 82 317.122 2
Hi High (pH 8-9.5) 3.51 7.03 -91.4 0 5 -2 80 316.114 2
Lo Low (pH 4.5-6) 3.51 7.93 -57.52 2 5 0 83 318.13 2

Activity (Go SEA)

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

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