UCSF

ZINC62829574

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 17 No

Popular Name: (1S,2R)-1-cyclopentylsulfanyl-1-(5-methyl-2-furyl)butan-2-amine (1S,2R)-1-cyclopentylsulfanyl-1-…

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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) 3.04 7.63 -39.86 3 2 1 41 254.419 5 ↓
Hi High (pH 8-9.5) 3.04 7.35 -3.41 2 2 0 39 253.411 5 ↓

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

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