UCSF

ZINC00293061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 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) 1.73 5.83 -36.65 2 3 1 39 229.303 5
Lo Low (pH 4.5-6) 1.73 6.09 -104.33 3 3 2 40 230.311 5

Activity (Go SEA)

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