UCSF

ZINC21880414

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 29 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) 1.96 3.6 -72.75 2 8 1 89 424.474 7
Mid Mid (pH 6-8) 1.96 4.47 -27.09 1 8 0 88 423.466 7

Activity (Go SEA)

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