UCSF

ZINC65748216

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 24 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) 3.93 9.74 -7.06 0 4 0 46 339.826 1
Lo Low (pH 4.5-6) 3.93 10.12 -40.95 1 4 1 47 340.834 1

Activity (Go SEA)

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