UCSF

ZINC58426575

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 15 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) 0.74 3.76 -9.75 1 4 0 45 205.261 2
Lo Low (pH 4.5-6) 0.74 4.19 -31.51 2 4 1 46 206.269 2

Activity (Go SEA)

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