UCSF

ZINC22933465

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 1.26 0.66 -11.63 2 7 0 74 342.484 10
Hi High (pH 8-9.5) 1.26 2.84 -44.15 3 7 1 75 343.492 10

Activity (Go SEA)

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