UCSF

ZINC72266298

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2012 12 Yes

CAS Number: 147025-53-4

Other Names:

MFCD06407655

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) 1.98 5.78 -29.24 1 2 1 14 166.244 1
Mid Mid (pH 6-8) 1.98 2.99 -4.6 0 2 0 12 165.236 1

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

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