UCSF

ZINC62599553

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 17 Yes

Popular Name: (2R)-2-(cyclopropylamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide (2R)-2-(cyclopropylamino)-4-[(4-…

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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) 0.08 3.91 -43.92 4 6 1 90 256.355 7 ↓
Hi High (pH 8-9.5) 0.08 2.93 -16.54 3 6 0 86 255.347 7 ↓

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

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