UCSF

ZINC12401916

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 24 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) 2.85 8.09 -30.76 2 5 1 51 343.476 2
Mid Mid (pH 6-8) 3.49 7.94 -24.09 1 5 0 58 342.468 2
Mid Mid (pH 6-8) 3.49 6.88 -19.57 1 5 0 58 342.468 2
Lo Low (pH 4.5-6) 2.85 10.12 -92.61 3 5 2 53 344.484 2

Activity (Go SEA)

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