UCSF

ZINC61455319

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 21 Yes

Popular Name: (1S)-N-(cyclobutylmethyl)-N-methyl-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-N-meth…

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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) 1.42 6.71 -44.84 3 4 1 49 285.415 6 ↓
Hi High (pH 8-9.5) 1.42 5.87 -6.36 2 4 0 47 284.407 6 ↓
Lo Low (pH 4.5-6) 1.42 8.14 -127.37 4 4 2 50 286.423 6 ↓

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

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