UCSF

ZINC13111252

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 24 No

Download: MOL2 SDF SMILES Flexibase

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) 1.45 4.98 -48.47 0 6 -1 80 322.344 2
Mid Mid (pH 6-8) 0.99 7.64 -9.09 1 6 0 77 323.352 2

Activity (Go SEA)

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