UCSF

ZINC41724217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 0.63 5.98 -40.57 3 3 1 42 251.394 4
Hi High (pH 8-9.5) 0.63 5.67 -3.94 2 3 0 40 250.386 4

Activity (Go SEA)

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