UCSF

ZINC39963853

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 5.88 9.48 -9.88 1 2 0 25 356.269 4
Lo Low (pH 4.5-6) 5.88 9.88 -32.83 2 2 1 26 357.277 4

Activity (Go SEA)

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