UCSF

ZINC54795167

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 18 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) 1.79 6 -41.02 3 4 1 55 239.302 3
Mid Mid (pH 6-8) 1.79 5.53 -10.14 2 4 0 54 238.294 3
Lo Low (pH 4.5-6) 1.79 6.43 -83.81 4 4 2 56 240.31 3

Activity (Go SEA)

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

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