UCSF

ZINC02347774

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 25 No

Popular Name: (4S)-2-amino-6-(m-tolyl)-4-phenyl-4H-pyrrolo[3,4-e][1,3]thiazine-5,7-quinone (4S)-2-amino-6-(m-tolyl)-4-pheny…

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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) 2.72 7.09 -8.01 2 5 0 77 349.415 2 ↓
Hi High (pH 8-9.5) 2.72 7.11 -36.74 1 5 -1 75 348.407 2 ↓
Mid Mid (pH 6-8) 2.72 8.07 -37.97 3 5 1 79 350.423 2 ↓

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

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