UCSF

ZINC67805877

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 29 Yes

Popular Name: (2S)-2-amino-3-(1H-imidazol-4-yl)-1-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidyl]propan-1-on (2S)-2-amino-3-(1H-imidazol-4-yl…

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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) 0.93 5.63 -43.46 5 8 1 115 395.487 6 ↓
Hi High (pH 8-9.5) 0.93 5.37 -18.12 4 8 0 113 394.479 6 ↓
Lo Low (pH 4.5-6) 0.93 6.15 -126.48 6 8 2 116 396.495 6 ↓

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

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