UCSF

ZINC25449450

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 3.72 10.66 -19.63 1 5 0 60 346.415 4
Mid Mid (pH 6-8) 3.79 9.75 -46.9 0 5 -1 66 345.407 4

Activity (Go SEA)

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