UCSF

ZINC53498311

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-[(2S)-2-(1,4-thiazepan-4-yl)propyl]aniline N-[(2S)-2-(1,4-thiazepan-4-yl)pr…

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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) 2.81 8.22 -36.95 2 2 1 16 251.419 4 ↓
Mid Mid (pH 6-8) 2.81 6.37 -2.71 1 2 0 15 250.411 4 ↓

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

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