UCSF

ZINC59846621

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 22 Yes

Popular Name: 3947-65-7; Neamine; Prestwick_921 3947-65-7; Neamine; Prestwick_921

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Other Names:

MFCD18452591

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) -5.26 -14.08 -191.92 15 10 3 208 325.386 3 ↓
Hi High (pH 8-9.5) -5.26 -14.7 -45.15 13 10 1 205 323.37 3 ↓
Hi High (pH 8-9.5) -5.26 -14.39 -92.37 14 10 2 207 324.378 3 ↓
Hi High (pH 8-9.5) -5.26 -14.41 -114.33 14 10 2 207 324.378 3 ↓
Mid Mid (pH 6-8) -5.26 -13.62 -299.54 16 10 4 210 326.394 3 ↓

Activity (Go SEA)

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

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