UCSF

ZINC34975269

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 1.82 0.24 -55.85 4 4 1 74 249.381 6
Hi High (pH 8-9.5) 1.82 -0.15 -9.2 3 4 0 72 248.373 6

Activity (Go SEA)

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