UCSF

ZINC25011489

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 31 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) 2.58 10 -13.41 1 9 0 104 413.441 5
Hi High (pH 8-9.5) 2.65 8.7 -52.51 0 9 -1 110 412.433 5

Activity (Go SEA)

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