UCSF

ZINC35231210

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 17 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) 2.76 6.97 -43.46 2 3 1 37 320.276 6
Hi High (pH 8-9.5) 2.76 5.77 -8.4 1 3 0 32 319.268 6

Activity (Go SEA)

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