UCSF

ZINC39908065

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.26 13.65 -10.06 0 2 0 18 328.459 4
Lo Low (pH 4.5-6) 6.26 14.17 -28.69 1 2 1 19 329.467 4

Activity (Go SEA)

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