UCSF

ZINC31847901

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 28 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) 5.41 13.96 -73.47 2 4 2 27 386.58 13
Hi High (pH 8-9.5) 5.41 11.78 -36.55 1 4 1 26 385.572 13
Hi High (pH 8-9.5) 5.41 9.51 -5.44 0 4 0 25 384.564 13

Activity (Go SEA)

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