UCSF

ZINC25376931

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 31 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) 3.29 7.66 -49.96 0 7 -1 89 483.397 5
Mid Mid (pH 6-8) 3.29 7.59 -23.22 1 7 0 87 484.405 5

Activity (Go SEA)

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