UCSF

ZINC35230210

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 2.67 5.22 -43.25 3 4 1 55 299.341 5
Hi High (pH 8-9.5) 2.67 4.87 -10.73 2 4 0 50 298.333 5

Activity (Go SEA)

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