UCSF

ZINC39914839

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.39 10.22 -12.43 2 6 0 78 477.923 5
Mid Mid (pH 6-8) 5.39 11 -48.36 1 6 -1 81 476.915 5

Activity (Go SEA)

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