UCSF

ZINC38592168

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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]-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]thiophene-3-carbon (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) 4.34 8.89 -32.98 1 3 1 50 322.457 2 ↓
Mid Mid (pH 6-8) 4.34 9.52 -96.63 2 3 2 52 323.465 2 ↓

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

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