UCSF

ZINC04060166

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 29 No

Popular Name: cyclopentyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate cyclopentyl 4-(3-iodophenyl)-2,7…

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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) 6.54 -0.07 -5.96 0 4 0 55 505.396 4 ↓
Mid Mid (pH 6-8) 6.54 -0.13 -9.35 0 4 0 55 505.396 4 ↓
Mid Mid (pH 6-8) 6.72 1.32 -8.06 0 4 0 55 505.396 4 ↓
Mid Mid (pH 6-8) 6.72 -0.01 -7.17 0 4 0 55 505.396 4 ↓

Activity (Go SEA)

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