UCSF

ZINC22778595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 19 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) 3.98 7.24 -48.95 2 3 1 35 341.25 4
Hi High (pH 8-9.5) 3.98 5.93 -6.87 1 3 0 30 340.242 4

Activity (Go SEA)

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