UCSF

ZINC09186557

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 34 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) 4.27 10.17 -49.84 2 7 1 81 465.57 7
Mid Mid (pH 6-8) 3.24 0.09 -49.21 1 7 1 77 465.57 8

Activity (Go SEA)

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