UCSF

ZINC35622403

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 27 Yes

Popular Name: 4-hydroxy-5-[(2R)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-3H-1,3-thiazine-2,6-dio 4-hydroxy-5-[(2R)-2-(4-hydroxyph…

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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) 2.55 1.03 -38.81 3 7 -1 118 380.405 2 ↓
Mid Mid (pH 6-8) 3.00 -1.72 -115.16 2 7 -2 121 379.397 2 ↓
Lo Low (pH 4.5-6) 2.03 2.05 -7.81 4 7 0 111 381.413 1 ↓

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