UCSF

ZINC55063792

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 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) 2.59 6.41 -101.77 4 3 2 35 342.325 5
Mid Mid (pH 6-8) 2.59 3.99 -45.35 3 3 1 34 341.317 5

Activity (Go SEA)

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