UCSF

ZINC36208007

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 Yes

Popular Name: (7S)-2-[[[(2S)-2-hydroxy-3-prop-2-ynoxy-propyl]-isobutyl-amino]methyl]-7-methyl-5,6,7,8-tetrahydro-3 (7S)-2-[[[(2S)-2-hydroxy-3-prop-…

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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) 2.93 8.32 -55.01 3 6 1 80 418.583 9 ↓
Hi High (pH 8-9.5) 3.38 6.11 -51.32 2 6 0 83 417.575 9 ↓
Hi High (pH 8-9.5) 2.93 7.73 -16.92 2 6 0 78 417.575 9 ↓

Activity (Go SEA)

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