UCSF

ZINC25460936

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 1.21 3.51 -21.23 1 8 0 104 437.543 5
Mid Mid (pH 6-8) 1.21 3.58 -51.36 0 8 -1 106 436.535 5

Activity (Go SEA)

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