UCSF

ZINC37919908

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 17 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) 0.95 6.79 -39.55 3 4 1 58 247.347 3
Mid Mid (pH 6-8) 0.95 5.96 -8.22 2 4 0 54 246.339 3
Lo Low (pH 4.5-6) 0.95 6.63 -31.71 2 4 0 56 246.339 3

Activity (Go SEA)

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

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