UCSF

ZINC39227905

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 3.36 7.06 -11.84 1 6 0 58 411.889 3
Mid Mid (pH 6-8) 3.36 9.06 -36.63 2 6 1 59 412.897 3

Activity (Go SEA)

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