UCSF

ZINC37835454

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Substance Information

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

Popular Name: (1S,4R,5S,6R)-6-(4-prop-2-ynylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6R)-6-(4-prop-2-ynylpi…

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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) 0.95 6.48 -56.05 0 5 -1 64 287.339 3 ↓
Lo Low (pH 4.5-6) 0.95 4.83 -15.76 1 5 0 61 288.347 3 ↓
Lo Low (pH 4.5-6) 0.95 6.81 -52.79 2 5 1 62 289.355 3 ↓
Lo Low (pH 4.5-6) 0.95 8.73 -68.29 1 5 0 65 288.347 3 ↓

Activity (Go SEA)

Rings

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