UCSF

ZINC36360415

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 31 Yes

Popular Name: (4S)-1-(6-chloropyridazin-3-yl)-4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3-methyl-5,7-dihydro-4H-pyra (4S)-1-(6-chloropyridazin-3-yl)-…

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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) 3.07 4.93 -15.31 2 9 0 114 435.875 4 ↓
Ref Reference (pH 7) 2.88 7.64 -13.61 2 9 0 111 435.875 4 ↓
Mid Mid (pH 6-8) 2.88 7.35 -16.47 2 9 0 111 435.875 4 ↓
Mid Mid (pH 6-8) 3.07 4.61 -16.26 2 9 0 114 435.875 4 ↓

Activity (Go SEA)

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