UCSF

ZINC62038748

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.28 7.89 -20.05 3 7 0 112 479.583 6
Hi High (pH 8-9.5) 5.28 8.66 -50.21 2 7 -1 115 478.575 6
Hi High (pH 8-9.5) 5.74 6.56 -49.41 2 7 -1 115 478.575 6
Hi High (pH 8-9.5) 5.74 7.32 -95.57 1 7 -2 118 477.567 6

Activity (Go SEA)

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