UCSF

ZINC49552065

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 20 No

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) -2.47 -3.35 -29.46 6 10 0 162 305.231 6
Mid Mid (pH 6-8) -2.47 -1.92 -123.11 6 10 0 166 305.231 6
Mid Mid (pH 6-8) -2.47 -3.03 -83.07 7 10 1 163 306.239 6
Mid Mid (pH 6-8) -2.47 -2.24 -88.84 5 10 -1 165 304.223 6

Activity (Go SEA)

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

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