UCSF

ZINC34836885

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 Yes

Popular Name: N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenyl-pyrazol-4-yl]methyl]-3-phenyl-N-propyl-propan-1-amine N-[[3-ethyl-5-(4-ethylpiperazin-…

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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) 5.88 18.77 -111.49 2 5 2 30 475.725 12 ↓
Hi High (pH 8-9.5) 5.88 14.79 -6.31 0 5 0 28 473.709 12 ↓
Mid Mid (pH 6-8) 5.88 17.02 -39.73 1 5 1 29 474.717 12 ↓
Lo Low (pH 4.5-6) 5.88 19.13 -190.48 3 5 3 31 476.733 12 ↓

Activity (Go SEA)

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