UCSF

ZINC40173983

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 22 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) 2.33 6.21 -47.94 5 4 1 73 294.378 4
Hi High (pH 8-9.5) 2.33 5.9 -10.29 4 4 0 71 293.37 4

Activity (Go SEA)

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