UCSF

ZINC35123773

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 13 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) 0.85 6.69 -44.77 1 3 0 45 199.275 5
Hi High (pH 8-9.5) 0.85 4.35 -43.25 0 3 -1 43 198.267 5

Activity (Go SEA)

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