UCSF

ZINC95864302

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 21 Yes

CAS Number: 3868-31-3

Other Names:

MFCD00216136

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -2.33 -12.32 -50.95 5 11 -1 176 298.235 2
Hi High (pH 8-9.5) -2.33 -12.79 -115.13 4 11 -2 175 297.227 2
Mid Mid (pH 6-8) -2.33 -12.32 -42.41 6 11 0 179 299.243 2

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

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