UCSF

ZINC09561100

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 39 Yes

Popular Name: 4-(4-cyclohexylpiperazin-1-yl)carbonyl-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquino 4-(4-cyclohexylpiperazin-1-yl)ca…

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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) 3.62 16.12 -65.3 1 7 1 59 529.705 6 ↓
Mid Mid (pH 6-8) 3.62 13.98 -17.44 0 7 0 58 528.697 6 ↓

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

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