UCSF

ZINC69779897

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 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) 1.35 3.98 -41.91 2 4 1 42 271.406 6
Hi High (pH 8-9.5) 1.35 2.61 -6.03 1 4 0 38 270.398 6
Lo Low (pH 4.5-6) 1.35 6.41 -104.44 3 4 2 43 272.414 6

Activity (Go SEA)

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

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