UCSF

ZINC08817611

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 No

Popular Name: 1-(2-dimethylaminoethyl)-4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene]-5-(4-nitrophenyl)-pyrrolid 1-(2-dimethylaminoethyl)-4-[(2,4…

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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) 1.47 8.98 -70.74 1 9 0 124 430.486 7 ↓
Hi High (pH 8-9.5) 1.47 6.44 -54 0 9 -1 122 429.478 7 ↓
Mid Mid (pH 6-8) 0.89 0.1 -58.05 1 9 1 117 431.494 7 ↓

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