UCSF

ZINC21949366

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 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) 1.12 3.66 -41.85 2 3 1 29 213.345 2
Mid Mid (pH 6-8) 1.12 5.36 -102.16 3 3 2 30 214.353 2

Activity (Go SEA)

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