UCSF

ZINC12554449

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 19 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) 3.82 7.68 -8.51 3 4 0 68 315.174 2
Mid Mid (pH 6-8) 3.82 7.09 -9.72 3 4 0 68 315.174 2

Activity (Go SEA)

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