UCSF

ZINC36331201

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 46 No

Popular Name: [hydroxy-trimethyl-oxo-(3-pyridyl)spiro[BLAH-BLAH,1'-cyclohexane]yl] [hydroxy-trimethyl-oxo-(3-pyridy…

Find On: PubMed — Wikipedia — Google

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) 5.39 11.7 -55.43 4 10 1 145 637.794 6 ↓
Mid Mid (pH 6-8) 5.39 11.37 -10.73 3 10 0 143 636.786 6 ↓
Lo Low (pH 4.5-6) 5.39 12.17 -106.64 5 10 2 146 638.802 6 ↓

Activity (Go SEA)

Rings

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