UCSF

ZINC34281906

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 25 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) -4.85 -0.08 -132.54 10 12 0 232 360.371 12
Hi High (pH 8-9.5) -4.85 -0.54 -115.71 9 12 -1 230 359.363 12

Activity (Go SEA)

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