UCSF

ZINC55070851

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 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) 1.89 6.12 -34.96 2 5 1 46 298.451 8
Hi High (pH 8-9.5) 1.89 4.07 -3.51 1 5 0 45 297.443 8
Mid Mid (pH 6-8) 1.89 7.22 -90.82 3 5 2 51 299.459 8

Activity (Go SEA)

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

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