UCSF

ZINC33911018

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 30 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) -2.08 9.3 -26.71 2 8 1 88 409.514 3
Mid Mid (pH 6-8) -2.08 11.66 -80.61 3 8 2 89 410.522 3

Activity (Go SEA)

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