UCSF

ZINC23001903

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 23 No

Popular Name: 2-thienyl-N-{3-[(2-thienylmethyl)amino]-1H-inden-1-yliden}methanaminium chloride 2-thienyl-N-{3-[(2-thienylmethyl…

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Other Names:

MFCD01114515

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) 5.20 9.84 -25.46 2 2 1 26 337.493 5 ↓
Ref Reference (pH 7) 5.20 10.12 -26.38 2 2 1 26 337.493 5 ↓
Hi High (pH 8-9.5) 5.20 9.1 -8.41 1 2 0 24 336.485 5 ↓
Mid Mid (pH 6-8) 5.20 8.89 -7.95 1 2 0 24 336.485 5 ↓

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Rings

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

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