UCSF

ZINC13724746

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Substance Information

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

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

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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) 2.74 10.15 -69.41 1 7 0 83 424.545 7 ↓
Hi High (pH 8-9.5) 2.74 7.61 -58.63 0 7 -1 82 423.537 7 ↓
Mid Mid (pH 6-8) 3.19 8.97 -60.87 2 7 1 80 425.553 6 ↓
Mid Mid (pH 6-8) 2.16 9.99 -54.78 1 7 1 77 425.553 7 ↓

Activity (Go SEA)

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