UCSF

ZINC13684600

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(2-methoxyphenyl)-4-(1,3,5-trimethylpyrazole-4-carbonyl)- (5S)-1-(3-dimethylaminopropyl)-3…

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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) 1.51 8.85 -68.88 1 8 0 92 426.517 8 ↓
Mid Mid (pH 6-8) 1.95 7.61 -65.89 2 8 1 89 427.525 7 ↓
Mid Mid (pH 6-8) 0.92 8.64 -50.95 1 8 1 86 427.525 8 ↓

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

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