UCSF

ZINC24476449

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2009 21 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) -0.75 3.66 -20.52 1 8 0 93 356.18 4
Mid Mid (pH 6-8) -0.29 0.96 -60.15 0 8 -1 96 355.172 4

Activity (Go SEA)

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