UCSF

ZINC41514860

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.75 8.98 -40.43 2 7 1 84 437.516 6
Hi High (pH 8-9.5) 3.75 7.47 -45.58 0 7 -1 86 435.5 6
Hi High (pH 8-9.5) 3.75 6.7 -10.89 1 7 0 83 436.508 6
Hi High (pH 8-9.5) 3.75 9.75 -49.88 1 7 0 87 436.508 6

Activity (Go SEA)

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