UCSF

ZINC05424098

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 21 No

Popular Name: INN INN

Find On: PubMed — Wikipedia — Google

CAS Number: 26097-80-3

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) 2.77 3.9 -11.15 2 6 0 80 302.359 4 ↓
Lo Low (pH 4.5-6) 2.77 4.34 -30.06 3 6 1 81 303.367 4 ↓
Lo Low (pH 4.5-6) 2.77 3.91 -10.54 2 6 0 80 302.359 4 ↓
Lo Low (pH 4.5-6) 2.40 1.39 -9.9 2 6 0 83 302.359 4 ↓

Activity (Go SEA)

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

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