UCSF

ZINC22209762

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 1.52 5.06 -125.48 4 3 2 35 318.234 3
Mid Mid (pH 6-8) 1.52 2.59 -52.08 3 3 1 34 317.226 3

Activity (Go SEA)

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