UCSF

ZINC09332598

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 27 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) 5.65 11.8 -19.78 1 4 0 55 411.939 5
Mid Mid (pH 6-8) 5.72 10.9 -48.51 0 4 -1 61 410.931 5

Activity (Go SEA)

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