UCSF

ZINC59083344

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 20 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) 2.80 7.5 -42.22 3 3 1 46 280.432 11
Hi High (pH 8-9.5) 2.80 7.16 -3.55 2 3 0 44 279.424 11

Activity (Go SEA)

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