UCSF

ZINC22151812

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 2.29 5.34 -35.65 4 5 1 69 294.419 8
Hi High (pH 8-9.5) 2.29 3.32 -10.28 3 5 0 68 293.411 8

Activity (Go SEA)

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