UCSF

ZINC25447043

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 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) 3.53 7.63 -19.62 2 8 0 106 467.526 5
Mid Mid (pH 6-8) 3.53 7.69 -48.84 1 8 -1 108 466.518 5

Activity (Go SEA)

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