UCSF

ZINC58233701

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 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) 0.30 1.04 -52.96 3 6 1 83 296.372 3
Hi High (pH 8-9.5) 0.30 -0.41 -11.49 2 6 0 79 295.364 3

Activity (Go SEA)

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