UCSF

ZINC69870734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 17 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) 1.07 1.88 -8.5 1 4 0 44 240.347 3
Lo Low (pH 4.5-6) 1.07 4.16 -45.2 2 4 1 45 241.355 3

Activity (Go SEA)

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

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