UCSF

ZINC53498284

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 17 No

Popular Name: (2R)-2-(1,4-thiazepan-4-yl)-N-(2-thienylmethyl)propan-1-amine (2R)-2-(1,4-thiazepan-4-yl)-N-(2…

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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) 2.41 7.38 -41.85 2 2 1 20 271.475 5 ↓
Hi High (pH 8-9.5) 2.41 6.38 -2.17 1 2 0 15 270.467 5 ↓
Mid Mid (pH 6-8) 2.41 8.15 -33.92 2 2 1 16 271.475 5 ↓
Lo Low (pH 4.5-6) 2.41 8.55 -123.01 3 2 2 21 272.483 5 ↓

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

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