UCSF

ZINC34865846

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 20 Yes

Popular Name: CYCLOHEXANECARBOXYLIC ACID, 4-AMINO-3-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, ETHYL ESTER, (1S,3R,4S)- CYCLOHEXANECARBOXYLIC ACID, 4-AM…

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CAS Number: 480449-84-1

Other Names:

MFCD22190459

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) 3.06 4.34 -55.95 4 6 1 92 287.38 6 ↓
Hi High (pH 8-9.5) 3.06 3.72 -8.84 3 6 0 91 286.372 6 ↓

Activity (Go SEA)

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