UCSF

ZINC42741588

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 Yes

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) 3.26 6.22 -133.01 4 4 2 51 314.857 5
Hi High (pH 8-9.5) 3.26 6.08 -35.64 3 4 1 49 313.849 5
Mid Mid (pH 6-8) 3.26 5.02 -53.37 3 4 1 49 313.849 5

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