UCSF

ZINC36207759

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 Yes

Popular Name: 5-(3,4-dimethoxyphenyl)-2-[[[(2S)-2-hydroxy-3-morpholino-propyl]-methyl-amino]methyl]-3H-thieno[2,3- 5-(3,4-dimethoxyphenyl)-2-[[[(2S…

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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) 1.25 4.18 -60.83 3 9 1 101 475.591 9 ↓
Hi High (pH 8-9.5) 1.25 1.57 -25.85 2 9 0 100 474.583 9 ↓
Mid Mid (pH 6-8) 1.71 1.67 -53.37 2 9 0 104 474.583 9 ↓
Lo Low (pH 4.5-6) 1.25 6.44 -133.27 4 9 2 103 476.599 9 ↓

Activity (Go SEA)

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