UCSF

ZINC37828120

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Popular Name: (1S,2R)-2-[4-(2-pyridylmethyl)piperazine-1-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[4-(2-pyridylmethyl)pi…

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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) 0.13 5.49 -57.43 0 6 -1 77 288.327 4 ↓
Mid Mid (pH 6-8) 0.13 7.72 -68.76 1 6 0 78 289.335 4 ↓
Mid Mid (pH 6-8) 0.13 5.5 -70.8 1 6 0 78 289.335 4 ↓
Lo Low (pH 4.5-6) 0.13 7.71 -126.07 2 6 1 79 290.343 4 ↓

Activity (Go SEA)

Rings

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