UCSF

ZINC53941295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 1.00 7.07 -33.5 3 3 1 34 290.475 6
Mid Mid (pH 6-8) 1.00 7.34 -102.59 4 3 2 35 291.483 6
Lo Low (pH 4.5-6) 1.00 9.65 -104.1 4 3 2 35 291.483 6

Activity (Go SEA)

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

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