UCSF

ZINC27107123

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 24 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) -1.35 0.29 -59.56 5 8 1 113 340.4 11
Hi High (pH 8-9.5) -1.35 -1.13 -26.76 4 8 0 109 339.392 11

Activity (Go SEA)

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