UCSF

ZINC29571887

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 18 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) 2.35 5.06 -48.88 4 3 1 60 259.354 2
Hi High (pH 8-9.5) 2.35 3.63 -9.65 3 3 0 55 258.346 2

Activity (Go SEA)

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