UCSF

ZINC36207034

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Substance Information

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

Popular Name: 2-[[cyclohexyl-[(2R)-2-hydroxy-3-morpholino-propyl]amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimi 2-[[cyclohexyl-[(2R)-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 5.25 -54.92 3 7 1 83 435.614 7 ↓
Hi High (pH 8-9.5) 2.85 2.53 -49.2 2 7 0 86 434.606 7 ↓
Hi High (pH 8-9.5) 2.39 3.39 -11.78 2 7 0 82 434.606 7 ↓
Lo Low (pH 4.5-6) 2.39 7.5 -129.32 4 7 2 84 436.622 7 ↓

Activity (Go SEA)

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