UCSF

ZINC03896482

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 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) 5.09 0.96 -8.32 1 5 0 45 357.461 4
Mid Mid (pH 6-8) 1.35 1.14 -26.25 2 5 1 48 358.469 4

Activity (Go SEA)

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