UCSF

ZINC16082923

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 20 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) 1.48 6.67 -6.82 2 3 0 46 351.631 2
Lo Low (pH 4.5-6) 1.48 6.99 -44.2 3 3 1 48 352.639 2
Lo Low (pH 4.5-6) 1.48 6.98 -45.68 3 3 1 48 352.639 2

Activity (Go SEA)

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