UCSF

ZINC09424472

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 39 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.81 11.85 -51.01 2 8 1 90 529.613 10
Mid Mid (pH 6-8) 3.23 0.02 -58.63 1 8 1 86 529.613 10

Activity (Go SEA)

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