UCSF

ZINC05544725

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 29 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) 3.09 9.81 -49.38 2 6 1 75 397.495 8
Mid Mid (pH 6-8) 2.50 10.47 -60.02 1 6 1 72 397.495 8

Activity (Go SEA)

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