UCSF

ZINC38596527

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 No

Popular Name: (2S,3S)-2-[(E)-2H-indol-3-ylmethyleneamino]-6-methyl-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridine-3-c (2S,3S)-2-[(E)-2H-indol-3-ylmeth…

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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) 2.59 5.8 -34.43 1 4 1 53 323.445 2 ↓
Mid Mid (pH 6-8) 2.59 8.22 -80.78 2 4 2 55 324.453 2 ↓
Lo Low (pH 4.5-6) 2.59 8.88 -165.83 3 4 3 56 325.461 2 ↓

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

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