UCSF

ZINC72099223

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2012 18 No

Other Names:

MFCD00005177

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) -1.75 2.01 -90.63 3 7 0 114 272.282 4
Mid Mid (pH 6-8) -1.75 1.7 -56.2 2 7 -1 113 271.274 4

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

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