UCSF

ZINC17995099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 23 No

Popular Name: 3-hydroxy-5,5-dimethyl-2-(C-methyl-N-(1-naphthyl)carbonimidoyl)cyclohex-2-en-1-one 3-hydroxy-5,5-dimethyl-2-(C-meth…

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) 4.34 10.3 -43.67 0 3 -1 52 306.385 2 ↓
Mid Mid (pH 6-8) 3.80 9.62 -37.29 2 3 1 49 308.401 2 ↓
Lo Low (pH 4.5-6) 4.34 8.12 -15.24 1 3 0 50 307.393 2 ↓

Activity (Go SEA)

Rings

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

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