UCSF

ZINC13684880

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 No

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

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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) 2.18 9.46 -69.63 1 7 0 83 430.936 7 ↓
Mid Mid (pH 6-8) 2.62 8.35 -62.63 2 7 1 80 431.944 6 ↓
Mid Mid (pH 6-8) 1.59 9.33 -54.83 1 7 1 77 431.944 7 ↓

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

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