UCSF

ZINC37233994

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 No

Popular Name: (4S)-N-[3-[[(2R)-tetrahydrofuran-2-yl]methoxy]propyl]isothiochroman-4-amine (4S)-N-[3-[[(2R)-tetrahydrofuran…

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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) 2.62 7.87 -43.62 2 3 1 35 308.467 7 ↓
Hi High (pH 8-9.5) 2.62 7.02 -6.24 1 3 0 30 307.459 7 ↓

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

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