UCSF

ZINC36207035

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Popular Name: 2-[[cyclohexyl-[(2S)-2-hydroxy-3-morpholino-propyl]amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimi 2-[[cyclohexyl-[(2S)-2-hydroxy-3…

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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) 2.39 5.17 -54.93 3 7 1 83 435.614 7 ↓
Hi High (pH 8-9.5) 2.85 2.94 -50.41 2 7 0 86 434.606 7 ↓
Hi High (pH 8-9.5) 2.39 3.28 -14.1 2 7 0 82 434.606 7 ↓
Lo Low (pH 4.5-6) 2.39 7.49 -129.2 4 7 2 84 436.622 7 ↓

Activity (Go SEA)

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