UCSF

ZINC19446764

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 27 Yes

Popular Name: (2S)-2-amino-4-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]pentan-1-one (2S)-2-amino-4-methyl-1-[4-(3-py…

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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) 0.48 7.03 -96.46 4 7 2 87 373.501 6 ↓
Hi High (pH 8-9.5) 0.48 6.29 -14.91 2 7 0 84 371.485 6 ↓
Hi High (pH 8-9.5) 0.48 6.58 -57.31 3 7 1 86 372.493 6 ↓
Hi High (pH 8-9.5) 0.48 6.74 -45.47 3 7 1 86 372.493 6 ↓

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Rings

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

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