UCSF

ZINC42139229

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 Yes

Popular Name: 5-amino-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]pyridine-3-carboxamide 5-amino-2-[(2S)-2-(3-pyridyl)pyr…

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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) 0.29 3.1 -11.55 4 6 0 98 283.335 3 ↓
Lo Low (pH 4.5-6) 0.29 3.57 -32.61 5 6 1 99 284.343 3 ↓

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

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