UCSF

ZINC24031165

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2009 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) 2.83 4.29 -48.8 2 7 -1 106 414.488 6
Lo Low (pH 4.5-6) 2.83 4.2 -23.04 3 7 0 104 415.496 6

Activity (Go SEA)

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