UCSF

ZINC02088759

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 33 No

Other Names:

MFCD01843270

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) 4.70 9.8 -37.92 2 7 1 86 462.448 7
Ref Reference (pH 7) 4.70 8.74 -38.68 2 7 1 86 462.448 7
Lo Low (pH 4.5-6) 4.70 9.89 -36.18 3 7 0 87 463.456 7
Lo Low (pH 4.5-6) 4.70 8.86 -35.3 3 7 0 87 463.456 7

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

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