UCSF

ZINC08413792

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 19 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) 0.99 2.29 -10.75 2 5 0 68 277.349 1
Lo Low (pH 4.5-6) 0.99 2.54 -37.02 3 5 1 70 278.357 1

Activity (Go SEA)

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