UCSF

ZINC21797372

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 3.72 8.68 -38.94 2 2 1 20 281.439 8
Mid Mid (pH 6-8) 3.72 9.84 -34.57 2 2 1 16 281.439 8
Lo Low (pH 4.5-6) 3.72 10.89 -120.73 3 2 2 21 282.447 8

Activity (Go SEA)

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