UCSF

ZINC61704614

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 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) -0.14 1.71 -13.49 2 5 0 69 231.255 1
Lo Low (pH 4.5-6) -0.14 1.72 -15.93 2 5 0 69 231.255 1
Lo Low (pH 4.5-6) -0.14 2.2 -48.74 3 5 1 70 232.263 1

Activity (Go SEA)

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