UCSF

ZINC34819666

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 31 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) -2.25 -6.38 -67.44 8 12 -1 220 435.365 8
Hi High (pH 8-9.5) -2.25 -5.53 -110.49 7 12 -2 223 434.357 8

Activity (Go SEA)

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