UCSF

ZINC21917853

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 25 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) 2.77 7.21 -40.2 2 6 1 61 343.403 6
Hi High (pH 8-9.5) 2.77 4.89 -11.68 1 6 0 60 342.395 6

Activity (Go SEA)

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