UCSF

ZINC08840767

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 27 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) 3.92 -1.92 -12.5 1 5 0 66 390.48 6
Hi High (pH 8-9.5) 3.92 -1.34 -37.38 0 5 -1 68 389.472 6

Activity (Go SEA)

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