UCSF

ZINC19312427

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) 3.34 6.61 -33.45 2 4 1 39 322.432 5
Mid Mid (pH 6-8) 3.34 8.94 -91.66 3 4 2 40 323.44 5

Activity (Go SEA)

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