UCSF

ZINC20075014

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.24 7.68 -36.3 2 4 1 34 287.431 8
Lo Low (pH 4.5-6) 2.24 9.06 -124.07 3 4 2 39 288.439 8

Activity (Go SEA)

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