UCSF

ZINC05760562

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 27 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) 3.21 9.93 -47.47 3 6 1 89 380.505 10
Hi High (pH 8-9.5) 3.21 8.66 -12.96 2 6 0 85 379.497 10

Activity (Go SEA)

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