UCSF

ZINC39229898

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 31 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) 3.31 8.42 -53.19 3 7 1 80 419.505 6
Mid Mid (pH 6-8) 3.31 7.17 -12.58 2 7 0 76 418.497 6
Lo Low (pH 4.5-6) 3.31 8.8 -112.91 4 7 2 82 420.513 6

Activity (Go SEA)

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