UCSF

ZINC39228951

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.20 11.43 -13.17 1 5 0 58 384.483 4
Lo Low (pH 4.5-6) 3.20 11.84 -41.49 2 5 1 59 385.491 4
Lo Low (pH 4.5-6) 3.20 12.3 -96.54 3 5 2 61 386.499 4
Lo Low (pH 4.5-6) 3.20 11.89 -40.33 2 5 1 59 385.491 4

Activity (Go SEA)

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