UCSF

ZINC33724809

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 No

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) 5.71 13.22 -12.4 1 4 0 28 460.087 10
Mid Mid (pH 6-8) 5.71 15.48 -58.67 2 4 1 29 461.095 10

Activity (Go SEA)

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