UCSF

ZINC20305519

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 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) 3.72 9.87 -38.46 2 2 1 16 301.841 5
Lo Low (pH 4.5-6) 3.72 11.12 -128.61 3 2 2 21 302.849 5

Activity (Go SEA)

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