UCSF

ZINC83325446

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2013 24 Yes

Other Names:

MFCD19105543

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) 2.40 5.33 -42.25 3 4 1 60 334.321 3
Mid Mid (pH 6-8) 2.40 4.99 -12.37 2 4 0 59 333.313 3

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

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