UCSF

ZINC33784295

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 33 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) 3.41 11.4 -18.08 1 9 0 119 445.431 7
Hi High (pH 8-9.5) 3.86 9.65 -51.21 0 9 -1 122 444.423 7

Activity (Go SEA)

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