UCSF

ZINC20299717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) -0.21 3.08 -48.26 2 5 1 59 250.322 4
Mid Mid (pH 6-8) -0.21 1.78 -11.16 1 5 0 54 249.314 4
Lo Low (pH 4.5-6) -0.21 2.27 -37.56 2 5 1 56 250.322 4

Activity (Go SEA)

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