UCSF

ZINC65533141

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: 2-[({4-[(methyloxy)carbonyl]phenyl}amino)carbonyl]cyclohexanecarboxylic acid 2-[({4-[(methyloxy)carbonyl]phen…

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Other Names:

MFCD00592486

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) 2.26 5.56 -75.5 3 5 2 41 327.904 5 ↓
Hi High (pH 8-9.5) 2.26 2.88 -5.24 1 5 0 38 325.888 5 ↓
Mid Mid (pH 6-8) 2.26 5.15 -39.81 2 5 1 40 326.896 5 ↓

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

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