UCSF

ZINC14539076

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 33 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) 5.37 10.77 -15.35 2 8 0 98 452.555 8
Lo Low (pH 4.5-6) 5.37 11.1 -40.12 3 8 1 100 453.563 8

Activity (Go SEA)

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