UCSF

ZINC12659268

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 6.41 15.22 -14.51 0 5 0 48 468.424 5
Mid Mid (pH 6-8) 6.41 15.66 -33.37 1 5 1 49 469.432 5

Activity (Go SEA)

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