UCSF

ZINC35016961

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.15 6.88 -33.96 1 4 -1 57 331.389 5
Hi High (pH 8-9.5) 2.19 6.07 -106.1 0 4 -2 57 330.381 5
Hi High (pH 8-9.5) 2.94 7.14 -40.29 1 4 -1 51 331.389 6
Mid Mid (pH 6-8) 2.90 8 -11.6 2 4 0 50 332.397 6

Activity (Go SEA)

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