UCSF

ZINC41514980

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 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) 4.11 9.4 -42.14 2 5 1 58 393.507 5
Hi High (pH 8-9.5) 4.11 7.7 -41.55 0 5 -1 60 391.491 5
Hi High (pH 8-9.5) 4.11 9.98 -44.81 1 5 0 61 392.499 5
Hi High (pH 8-9.5) 4.11 7.13 -7.87 1 5 0 57 392.499 5

Activity (Go SEA)

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