UCSF

ZINC27328948

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 26 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) 2.27 8.52 -11.63 0 6 0 56 367.84 4
Mid Mid (pH 6-8) 2.27 9.32 -37.4 1 6 1 57 368.848 4

Activity (Go SEA)

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