UCSF

ZINC27102305

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 39 No

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) 8.59 19.55 -40.85 1 4 1 40 540.749 11
Hi High (pH 8-9.5) 8.59 16.99 -9.31 0 4 0 39 539.741 11

Activity (Go SEA)

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