UCSF

ZINC13128900

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 27 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) 5.07 10.57 -10.02 2 4 0 58 379.529 7
Mid Mid (pH 6-8) 5.07 10.99 -34.64 3 4 1 59 380.537 7

Activity (Go SEA)

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