UCSF

ZINC32119202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 26 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) 6.48 12.15 -22.74 1 4 0 51 409.338 7
Hi High (pH 8-9.5) 6.66 11.09 -45.23 0 4 -1 58 408.33 7

Activity (Go SEA)

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