UCSF

ZINC32208140

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.44 2.94 -41.5 2 5 1 42 308.446 9
Mid Mid (pH 6-8) 1.44 6.54 -79.29 3 5 2 39 309.454 9
Mid Mid (pH 6-8) 1.44 4.14 -37.89 2 5 1 38 308.446 9
Lo Low (pH 4.5-6) 1.44 7.69 -173.58 4 5 3 44 310.462 9

Activity (Go SEA)

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