UCSF

ZINC13139954

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 39 No

Popular Name: 1-{(Z)-[(4-ethylphenyl)imino]methyl}-17-(4-methoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione 1-{(Z)-[(4-ethylphenyl)imino]met…

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Other Names:

MFCD01240650

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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) 6.64 14.28 -9.65 0 5 0 59 512.609 5 ↓
Ref Reference (pH 7) 6.64 16.36 -10.59 0 5 0 59 512.609 5 ↓
Lo Low (pH 4.5-6) 6.65 16.35 -35.76 1 5 1 61 513.617 5 ↓
Lo Low (pH 4.5-6) 6.65 14.69 -41.08 1 5 1 61 513.617 5 ↓

Activity (Go SEA)

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