UCSF

ZINC08695243

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 34 No

Other Names:

MFCD06239866

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) 4.77 12.34 -47.86 2 6 1 75 464.63 13
Mid Mid (pH 6-8) 4.18 13.02 -57.1 1 6 1 72 464.63 13
Lo Low (pH 4.5-6) 5.21 12.31 -126.45 3 6 2 76 465.638 12
Lo Low (pH 4.5-6) 4.18 13.31 -125.14 2 6 2 73 465.638 13

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