UCSF

ZINC12401704

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 22 Yes

Popular Name: (S,S)-2,6-BIS(4-ISOPROPYL-2-OXAZOLIN-2-YL)PYRIDINE (S,S)-2,6-BIS(4-ISOPROPYL-2-OXAZ…

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CAS Numbers: 118949-61-4 , 131864-67-0

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) 2.54 1 -9.05 0 5 0 56 301.39 4 ↓
Mid Mid (pH 6-8) 2.54 2.03 -36.71 1 5 1 58 302.398 4 ↓
Mid Mid (pH 6-8) 2.54 2.05 -36.65 1 5 1 58 302.398 4 ↓
Lo Low (pH 4.5-6) 2.54 3.7 -80.41 2 5 2 59 303.406 4 ↓

Activity (Go SEA)

Rings

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