UCSF

ZINC05199818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 29 No

Popular Name: N-[1-(azepan-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino-2-methyl-benzamide N-[1-(azepan-1-ylmethyl)-2-oxo-i…

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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) 4.23 9.28 -19.58 1 6 0 67 390.487 4 ↓
Ref Reference (pH 7) 4.23 9.45 -13.08 1 6 0 67 390.487 4 ↓
Mid Mid (pH 6-8) 4.23 11.25 -50.27 2 6 1 68 391.495 4 ↓
Mid Mid (pH 6-8) 4.23 11.43 -47.76 2 6 1 68 391.495 4 ↓

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

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