UCSF

ZINC22223588

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 21 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) 2.47 4.74 -22 3 5 0 77 299.355 3
Hi High (pH 8-9.5) 2.54 3.83 -55.78 2 5 -1 84 298.347 3

Activity (Go SEA)

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