UCSF

ZINC18176329

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 17 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) -0.28 1.21 -14.54 5 7 0 112 232.247 3
Ref Reference (pH 7) -0.28 1.27 -19.44 5 7 0 112 232.247 3
Hi High (pH 8-9.5) -1.54 1.31 -20.58 5 7 0 113 232.247 3
Mid Mid (pH 6-8) 0.98 1.12 -46.67 4 7 -1 109 231.239 3
Mid Mid (pH 6-8) 1.71 -0.44 -32.04 6 7 1 116 233.255 3

Activity (Go SEA)

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

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