UCSF

ZINC33817349

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 4.08 12.86 -18.46 1 9 0 108 509.613 11
Hi High (pH 8-9.5) 4.26 11.79 -44.44 0 9 -1 115 508.605 11

Activity (Go SEA)

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