UCSF

ZINC31375428

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 26 Yes

CAS Number: 1617-90-9

Other Names:

MFCD00078054

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) 3.18 7.99 -44.33 2 5 1 56 355.458 3
Mid Mid (pH 6-8) 3.18 6.18 -7.5 1 5 0 55 354.45 3

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

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