UCSF

ZINC13684163

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 Yes

Popular Name: (3R,4S)-1,1-dioxo-3-(2-pyridylmethyl)-2-(4-pyridylmethyl)-3,4-dihydrobenzo[e]thiazin-4-ol (3R,4S)-1,1-dioxo-3-(2-pyridylme…

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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) 0.98 3.88 -15.23 1 6 0 83 381.457 4 ↓
Lo Low (pH 4.5-6) 0.98 4.16 -39.41 2 6 1 85 382.465 4 ↓
Lo Low (pH 4.5-6) 0.98 4.15 -52.47 2 6 1 85 382.465 4 ↓
Lo Low (pH 4.5-6) 0.98 4.43 -103.1 3 6 2 86 383.473 4 ↓

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Rings

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

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