UCSF

ZINC54263525

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2010 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) 0.57 2.86 -52.66 3 6 1 73 283.348 8
Hi High (pH 8-9.5) 0.57 1.5 -11.11 2 6 0 69 282.34 8

Activity (Go SEA)

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