UCSF

ZINC35622692

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 26 Yes

Popular Name: 4-hydroxy-5-[(2R)-2-(5-methyl-2-furyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-3H-1,3-thiazine-2,6-di 4-hydroxy-5-[(2R)-2-(5-methyl-2-…

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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) 2.50 2.92 -39.28 2 7 -1 111 368.394 2 ↓
Mid Mid (pH 6-8) 2.96 0.25 -114.16 1 7 -2 114 367.386 2 ↓
Lo Low (pH 4.5-6) 1.99 4.12 -7.31 3 7 0 104 369.402 1 ↓

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

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