UCSF

ZINC13720045

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 No

Popular Name: (5S)-3-hydroxy-5-(3-methoxyphenyl)-1-(2-morpholinoethyl)-4-(1,3,5-trimethylpyrazole-4-carbonyl)-5H-p (5S)-3-hydroxy-5-(3-methoxypheny…

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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) 1.11 4.94 -56.98 0 9 -1 100 453.519 7 ↓
Mid Mid (pH 6-8) 1.55 6.33 -62.69 2 9 1 98 455.535 6 ↓
Mid Mid (pH 6-8) 0.52 7.33 -59.2 1 9 1 95 455.535 7 ↓
Mid Mid (pH 6-8) 1.11 7.34 -67.49 1 9 0 101 454.527 7 ↓

Activity (Go SEA)

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