UCSF

ZINC37839559

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.65 7.93 -49.98 1 4 1 42 241.355 5
Hi High (pH 8-9.5) 0.66 6.85 -63.2 1 4 0 48 240.347 5

Activity (Go SEA)

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