UCSF

ZINC61674886

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2011 18 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) 1.91 4.89 -40.71 2 4 1 35 249.334 4
Lo Low (pH 4.5-6) 1.91 3.64 -42.58 2 4 1 38 249.334 4
Lo Low (pH 4.5-6) 1.91 6.08 -119.42 3 4 2 40 250.342 4

Activity (Go SEA)

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