UCSF

ZINC33779839

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 32 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) 5.51 12.25 -28.81 1 6 0 75 450.608 7
Hi High (pH 8-9.5) 5.33 11.18 -60.75 0 6 -1 82 449.6 7

Activity (Go SEA)

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