UCSF

ZINC20080160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 2.83 7.14 -63.46 0 4 -1 56 289.742 5
Lo Low (pH 4.5-6) 2.83 7.52 -63.04 1 4 0 58 290.75 5

Activity (Go SEA)

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