UCSF

ZINC19362501

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 22 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) 3.12 9.35 -129.41 3 4 2 40 328.884 8
Mid Mid (pH 6-8) 3.12 7.98 -37.47 2 4 1 35 327.876 8

Activity (Go SEA)

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