UCSF

ZINC06382506

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 28 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) 3.84 9.73 -60.94 0 5 -1 70 398.866 6
Mid Mid (pH 6-8) 3.84 0.49 -13.9 1 5 0 66 399.874 6
Mid Mid (pH 6-8) 3.26 0.36 -24.33 0 5 0 63 399.874 6

Activity (Go SEA)

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