UCSF

ZINC60219596

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 39 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.66 15.89 -90.72 2 6 2 67 530.757 4
Hi High (pH 8-9.5) 5.09 15.14 -10.25 1 6 0 66 528.741 5
Mid Mid (pH 6-8) 5.09 15.61 -34.5 2 6 1 67 529.749 5

Activity (Go SEA)

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