UCSF

ZINC01809526

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 24 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) 3.83 11.99 -13.61 0 5 0 52 338.798 3
Mid Mid (pH 6-8) 3.84 12.91 -48.4 2 5 1 56 339.806 3
Mid Mid (pH 6-8) 3.83 12.32 -40.32 1 5 1 54 339.806 3

Activity (Go SEA)

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