UCSF

ZINC13683895

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 No

Popular Name: (5R)-1-(2-dimethylaminoethyl)-4-(2,4-dimethylpyrimidine-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-5H- (5R)-1-(2-dimethylaminoethyl)-4-…

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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) 0.91 8.85 -63.82 1 7 0 91 398.438 6 ↓
Hi High (pH 8-9.5) 0.91 6.31 -48.62 0 7 -1 89 397.43 6 ↓
Mid Mid (pH 6-8) 1.36 7.35 -60.1 2 7 1 88 399.446 5 ↓
Mid Mid (pH 6-8) 0.33 8.63 -55.46 1 7 1 85 399.446 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.