UCSF

ZINC14973897

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 30 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) 4.31 12.86 -44.99 1 5 1 38 410.63 5
Lo Low (pH 4.5-6) 4.31 15.27 -190.76 3 5 3 41 412.646 5
Lo Low (pH 4.5-6) 4.31 13.28 -75.52 2 5 2 40 411.638 5

Activity (Go SEA)

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