UCSF

ZINC05445504

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 25 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) 3.11 7.38 -56.07 0 5 -1 70 356.785 4
Mid Mid (pH 6-8) 3.56 0.42 -17.62 1 5 0 66 357.793 3

Activity (Go SEA)

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