UCSF

ZINC25521009

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) 5.35 11.07 -10.12 0 3 0 33 364.514 2
Mid Mid (pH 6-8) 5.35 11.46 -34.83 1 3 1 34 365.522 2

Activity (Go SEA)

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