UCSF

ZINC12414945

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 30 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) 2.49 -0.62 -28.85 1 8 0 95 424.482 5
Lo Low (pH 4.5-6) 2.49 -0.58 -47.57 2 8 1 97 425.49 5

Activity (Go SEA)

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