UCSF

ZINC36123736

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 No

Popular Name: N-[[2-oxo-1-(pyrrolidin-1-ylmethyl)indolin-3-ylidene]amino]thiophene-2-carboxamide N-[[2-oxo-1-(pyrrolidin-1-ylmeth…

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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) 2.72 6.12 -13.48 1 6 0 67 354.435 4 ↓
Mid Mid (pH 6-8) 2.72 8.46 -50.63 2 6 1 68 355.443 4 ↓

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

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