UCSF

ZINC44648312

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 0.53 2.82 -48.26 4 5 1 75 250.322 6
Hi High (pH 8-9.5) 0.53 1.45 -13.98 3 5 0 70 249.314 6

Activity (Go SEA)

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