UCSF

ZINC45096495

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 15 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) -1.06 0.31 -33.65 4 5 1 77 212.273 4
Hi High (pH 8-9.5) -1.06 -1.83 -9.6 3 5 0 75 211.265 4

Activity (Go SEA)

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