UCSF

ZINC00002277

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 18 Yes

Popular Name: INN INN

Find On: PubMed — Wikipedia — Google

CAS Number: 82747-56-6

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) 2.82 5.35 -25.76 1 3 0 46 261.708 1 ↓
Mid Mid (pH 6-8) 2.82 4.63 -36.04 2 3 1 44 262.716 1 ↓
Mid Mid (pH 6-8) 2.82 4.97 -38.56 0 3 -1 45 260.7 1 ↓

Activity (Go SEA)

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