UCSF

ZINC16737464

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 37 No

Popular Name: (5S)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2-ethoxyphenyl)-3-hydroxy-1-(3-morpholinopropyl) (5S)-4-(2,3-dihydro-1,4-benzodio…

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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) 2.42 7.41 -62.51 0 9 -1 101 507.563 9 ↓
Mid Mid (pH 6-8) 2.86 8.63 -58.95 2 9 1 99 509.579 8 ↓
Mid Mid (pH 6-8) 1.83 9.61 -62.12 1 9 1 96 509.579 9 ↓
Mid Mid (pH 6-8) 2.42 9.74 -78.41 1 9 0 102 508.571 9 ↓

Activity (Go SEA)

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