UCSF

ZINC37859794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 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) 1.18 4.75 -105.14 4 3 2 41 242.388 6
Mid Mid (pH 6-8) 1.18 5.25 -41.97 3 3 1 44 241.38 6
Mid Mid (pH 6-8) 1.18 3.33 -35.38 3 3 1 37 241.38 6

Activity (Go SEA)

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