UCSF

ZINC13683698

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-4-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-5-(3-isopropoxyphenyl (5S)-1-(3-dimethylaminopropyl)-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) 1.82 10.43 -68.45 1 8 0 100 452.555 9 ↓
Mid Mid (pH 6-8) 2.26 8.95 -58.58 2 8 1 97 453.563 8 ↓
Mid Mid (pH 6-8) 1.23 10.34 -52.96 1 8 1 94 453.563 9 ↓

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

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