UCSF

ZINC40843638

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 24 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) 1.20 1.71 -55.88 3 6 1 76 331.392 1
Hi High (pH 8-9.5) 1.20 -0.54 -11.38 2 6 0 75 330.384 1

Activity (Go SEA)

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