UCSF

ZINC19790401

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 33 Yes

Popular Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(2-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) 4.65 8.03 -46.55 2 6 1 67 463.476 6 ↓
Hi High (pH 8-9.5) 4.65 6.51 -41.84 0 6 -1 69 461.46 6 ↓
Mid Mid (pH 6-8) 4.65 8.06 -43.9 2 6 1 67 463.476 6 ↓
Mid Mid (pH 6-8) 4.65 8.85 -28.15 1 6 0 70 462.468 6 ↓
Mid Mid (pH 6-8) 4.65 5.72 -14.96 1 6 0 66 462.468 6 ↓

Activity (Go SEA)

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