UCSF

ZINC09239985

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 35 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) 4.53 11.9 -51.06 2 7 1 81 477.581 12
Mid Mid (pH 6-8) 3.50 2.2 -47.45 1 7 1 77 477.581 13

Activity (Go SEA)

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