UCSF

ZINC40137281

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 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) 3.30 11.88 -17.1 1 12 0 164 427.764 4
Hi High (pH 8-9.5) 3.37 10.23 -46.82 0 12 -1 171 426.756 4

Activity (Go SEA)

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