UCSF

ZINC15454064

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 19 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) -1.91 7.86 -34.83 0 3 1 20 259.373 3
Mid Mid (pH 6-8) -1.91 10.39 -108.98 1 3 2 22 260.381 3

Activity (Go SEA)

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