UCSF

ZINC53344577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 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) 4.06 8.8 -4.91 1 2 0 15 258.34 6
Lo Low (pH 4.5-6) 4.06 8.88 -23.44 2 2 0 16 259.348 6

Activity (Go SEA)

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

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