UCSF

ZINC51572459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 19 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) 3.23 5.32 -45.83 3 3 1 50 255.341 3
Hi High (pH 8-9.5) 3.23 4.92 -6.37 2 3 0 48 254.333 3

Activity (Go SEA)

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