UCSF

ZINC85537059

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2013 61 No

Popular Name: INN INN

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) 6.21 21.42 -55.47 6 10 1 166 835.167 15 ↓
Mid Mid (pH 6-8) 6.21 23.92 -173.23 8 10 3 172 837.183 15 ↓
Mid Mid (pH 6-8) 6.21 21.89 -100.12 7 10 2 167 836.175 15 ↓
Mid Mid (pH 6-8) 6.21 22.44 -118.03 7 10 2 170 836.175 15 ↓
Mid Mid (pH 6-8) 6.21 23.35 -119.36 7 10 2 170 836.175 15 ↓
Mid Mid (pH 6-8) 6.21 20.36 -54.16 6 10 1 166 835.167 15 ↓

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

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