UCSF

ZINC22218622

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) -0.36 1.82 -121.08 6 5 2 81 279.384 4
Hi High (pH 8-9.5) -0.36 -0.45 -62.44 5 5 1 80 278.376 4

Activity (Go SEA)

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