UCSF

ZINC49320261

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 No

Popular Name: 3-[[[(1S)-indan-1-yl]-prop-2-ynyl-amino]methyl]thiazolidine-2-thione 3-[[[(1S)-indan-1-yl]-prop-2-yny…

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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) 3.16 8.33 -13.58 0 2 0 6 302.468 4 ↓
Lo Low (pH 4.5-6) 3.16 10.63 -40.55 1 2 1 8 303.476 4 ↓

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

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