UCSF

ZINC69135525

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 18 No

Popular Name: (3S)-N-[(1R)-3-(2-furyl)-1-methyl-propyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-3-(2-furyl)-1-methy…

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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) 1.55 3.95 -56.95 2 4 1 64 272.39 5 ↓
Hi High (pH 8-9.5) 1.55 2.83 -13.76 1 4 0 59 271.382 5 ↓

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

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