UCSF

ZINC62941887

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 No

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) 0.49 2.17 -38.19 4 6 1 72 269.398 3
Hi High (pH 8-9.5) 0.49 0.62 -8.08 3 6 0 70 268.39 3
Lo Low (pH 4.5-6) 0.49 2 -104.08 5 6 2 73 270.406 3

Activity (Go SEA)

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

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