UCSF

ZINC39266153

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 35 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) 2.28 10.45 -18 0 8 0 73 476.577 6
Mid Mid (pH 6-8) 2.28 12.79 -52.49 1 8 1 75 477.585 6

Activity (Go SEA)

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