UCSF

ZINC14543267

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 34 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) 5.49 11.34 -18.57 2 8 0 98 460.534 10
Lo Low (pH 4.5-6) 5.49 11.62 -39.67 3 8 1 100 461.542 10

Activity (Go SEA)

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