UCSF

ZINC34470153

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 22 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) -0.16 1.76 -90.67 6 6 2 90 322.49 13
Hi High (pH 8-9.5) -0.16 -2.93 -33.68 5 6 1 89 321.482 13

Activity (Go SEA)

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