UCSF

ZINC04452959

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 30 No

Other Names:

MFCD03297457

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.97 6.61 -12.15 1 7 0 117 403.486 5
Mid Mid (pH 6-8) 2.97 2.74 -117.76 3 7 2 119 405.502 5

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