UCSF

ZINC14995851

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 36 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) 4.92 16.64 -47.05 1 5 1 38 480.68 7
Mid Mid (pH 6-8) 4.92 19.14 -183.66 3 5 3 41 482.696 7
Lo Low (pH 4.5-6) 4.92 17.07 -79.99 2 5 2 40 481.688 7

Activity (Go SEA)

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