UCSF

ZINC39962662

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 3.11 10.17 -52.73 3 6 1 66 389.479 3
Mid Mid (pH 6-8) 3.11 7.82 -13.09 2 6 0 65 388.471 3

Activity (Go SEA)

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