UCSF

ZINC39227483

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 37 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) 5.11 13.29 -46.16 2 6 1 69 499.631 6
Hi High (pH 8-9.5) 5.11 10.9 -12.37 1 6 0 68 498.623 6

Activity (Go SEA)

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