UCSF

ZINC23283168

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 16 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) 0.52 3.35 -41.23 3 4 1 46 226.344 2
Mid Mid (pH 6-8) 0.52 1.85 -41 3 4 1 49 226.344 2
Lo Low (pH 4.5-6) 0.52 3.97 -108.32 4 4 2 50 227.352 2

Activity (Go SEA)

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