UCSF

ZINC20390542

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 33 Yes

Popular Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one 8-[(4-ethylpiperazin-1-yl)methyl…

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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) 4.70 7.95 -45.34 2 6 1 67 463.476 6 ↓
Hi High (pH 8-9.5) 4.70 6.44 -38.34 0 6 -1 69 461.46 6 ↓
Mid Mid (pH 6-8) 4.70 7.98 -44.04 2 6 1 67 463.476 6 ↓
Mid Mid (pH 6-8) 4.70 8.78 -26.88 1 6 0 70 462.468 6 ↓
Mid Mid (pH 6-8) 4.70 5.64 -12.89 1 6 0 66 462.468 6 ↓

Activity (Go SEA)

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