UCSF

ZINC62596570

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 18 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-(4-hydroxypyrimidin-2-yl)sulfanyl-butanamide (2S)-2-(cyclopropylamino)-4-(4-h…

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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) 0.64 0.88 -51.8 5 6 1 105 269.35 7 ↓
Hi High (pH 8-9.5) 1.09 -2.02 -48.31 3 6 -1 104 267.334 7 ↓
Mid Mid (pH 6-8) 1.09 -1.1 -53.81 4 6 0 109 268.342 7 ↓

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

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