UCSF

ZINC49627525

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 26 No

Popular Name: (2E)-2-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]benzo[c][1]benzazepin-11-ylidene]acetonitrile (2E)-2-[6-[(2S)-2-(hydroxymethyl…

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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) 3.05 7.3 -12.52 1 5 0 69 345.402 2 ↓
Lo Low (pH 4.5-6) -1.00 7.48 -33.12 2 5 1 72 346.41 1 ↓

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

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