UCSF

ZINC19338680

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 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) 0.63 6.89 -45.77 2 5 1 58 326.42 7
Hi High (pH 8-9.5) 0.63 4.57 -14.97 1 5 0 57 325.412 7

Activity (Go SEA)

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