UCSF

ZINC55042141

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 22 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) -1.24 6.42 -55.07 3 7 0 102 302.334 6
Mid Mid (pH 6-8) -1.24 5.61 -52.81 2 7 -1 101 301.326 6
Lo Low (pH 4.5-6) -1.24 4.43 -34.58 4 7 1 100 303.342 6

Activity (Go SEA)

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

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