UCSF

ZINC21748761

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 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) 1.71 3.1 -49.05 1 8 -1 109 402.452 5
Mid Mid (pH 6-8) 1.71 3.03 -17.87 2 8 0 107 403.46 5

Activity (Go SEA)

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