UCSF

ZINC13682980

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 Yes

Popular Name: (3R,4S)-3-[(5-methoxy-1H-indol-3-yl)methyl]-1,1-dioxo-2-(4-pyridylmethyl)-3,4-dihydrobenzo[e]thiazin (3R,4S)-3-[(5-methoxy-1H-indol-3…

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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) 2.34 4.63 -12.8 2 7 0 96 449.532 5 ↓
Lo Low (pH 4.5-6) 2.34 4.91 -41.06 3 7 1 97 450.54 5 ↓

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

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