UCSF

ZINC19362938

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 20 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) 3.64 7.73 -31.99 1 3 1 17 342.301 5
Mid Mid (pH 6-8) 3.64 8.13 -33.71 1 3 1 17 342.301 5
Mid Mid (pH 6-8) 3.64 5.73 -2.77 0 3 0 16 341.293 5

Activity (Go SEA)

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