UCSF

ZINC44991682

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 16 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) 0.11 3.38 -56.99 1 6 -1 95 223.208 4
Lo Low (pH 4.5-6) 0.11 1.45 -16.06 2 6 0 92 224.216 4

Activity (Go SEA)

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

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