UCSF

ZINC22588908

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 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) 2.14 5.08 -38.21 2 4 1 37 299.479 5
Mid Mid (pH 6-8) 2.14 2.61 -4.33 1 4 0 36 298.471 5

Activity (Go SEA)

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