UCSF

ZINC39917212

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 31 Yes

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) 4.91 12.78 -42.26 1 5 1 35 421.609 8
Mid Mid (pH 6-8) 4.91 13.49 -86.32 2 5 2 36 422.617 8
Mid Mid (pH 6-8) 4.91 12.65 -38.77 1 5 1 35 421.609 8
Mid Mid (pH 6-8) 4.91 10.41 -10.68 0 5 0 34 420.601 8

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