UCSF

ZINC36159871

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 Yes

Popular Name: [cyclohexyl-[(2S)-2-hydroxy-3-morpholino-propyl]amino]methylBLAHone [cyclohexyl-[(2S)-2-hydroxy-3-mo…

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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) 2.45 6.21 -55.8 3 7 1 83 447.625 7 ↓
Hi High (pH 8-9.5) 2.90 3.41 -54.67 2 7 0 86 446.617 7 ↓
Hi High (pH 8-9.5) 2.45 4.13 -14.68 2 7 0 82 446.617 7 ↓
Lo Low (pH 4.5-6) 2.45 8.53 -131.47 4 7 2 84 448.633 7 ↓

Activity (Go SEA)

Rings

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