UCSF

ZINC33713307

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 33 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) 4.30 11.15 -41.54 3 6 1 75 461.611 5
Mid Mid (pH 6-8) 4.30 10.75 -22.15 2 6 0 74 460.603 5

Activity (Go SEA)

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