UCSF

ZINC69952892

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 34 Yes

Popular Name: N-[5-[(2R)-2-hydroxy-2-phenyl-acetyl]-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benza N-[5-[(2R)-2-hydroxy-2-phenyl-ac…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.21 10.38 -88.82 3 9 0 111 458.522 5 ↓
Hi High (pH 8-9.5) 2.21 8.03 -57.79 2 9 -1 109 457.514 5 ↓
Lo Low (pH 4.5-6) 2.21 9.8 -55.86 4 9 1 108 459.53 5 ↓

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

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