UCSF

ZINC00361101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 21 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) 0.95 -0.98 -106.79 1 7 -2 122 284.227 4
Lo Low (pH 4.5-6) 0.95 -0.87 -105.4 2 7 -1 123 285.235 4

Activity (Go SEA)

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

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