UCSF

ZINC49629872

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 15 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) -1.22 -3.68 -69.11 3 6 1 97 257.357 5
Hi High (pH 8-9.5) -1.22 -5.12 -21.23 2 6 0 92 256.349 5

Activity (Go SEA)

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

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