UCSF

ZINC05488787

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 25 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) 4.96 8 -13.22 1 4 0 60 350.292 3
Hi High (pH 8-9.5) 4.96 8.79 -37.2 0 4 -1 63 349.284 3

Activity (Go SEA)

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