UCSF

ZINC32157845

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 0.79 0.76 -13.67 4 6 0 101 294.38 4
Hi High (pH 8-9.5) 0.79 0.45 -44.51 3 6 -1 103 293.372 4

Activity (Go SEA)

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