UCSF

ZINC39396459

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 30 Yes

Popular Name: (1S,2R)-2-[[(1S,2R)-2-[[(1S,2S)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexanec (1S,2R)-2-[[(1S,2R)-2-[[(1S,2S)-…

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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) 2.71 11.22 -113.18 2 8 -2 138 420.506 6 ↓
Mid Mid (pH 6-8) 2.71 9.19 -61.47 3 8 -1 136 421.514 6 ↓
Lo Low (pH 4.5-6) 2.71 7.21 -17.59 4 8 0 133 422.522 6 ↓

Activity (Go SEA)

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