UCSF

ZINC43461051

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 Yes

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) 1.77 2.72 -41.25 0 5 -1 66 275.089 1
Mid Mid (pH 6-8) 1.77 3.23 -7.78 1 5 0 67 276.097 1

Activity (Go SEA)

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