UCSF

ZINC19910630

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 4.69 9.2 -18.02 1 5 0 54 367.474 6
Mid Mid (pH 6-8) 4.69 8.77 -44.04 0 5 -1 57 366.466 6

Activity (Go SEA)

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