UCSF

ZINC39227226

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 29 Yes

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) 2.37 8.86 -62.71 1 6 1 74 416.519 4
Hi High (pH 8-9.5) 2.37 6.64 -18.23 0 6 0 73 415.511 4

Activity (Go SEA)

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