UCSF

ZINC20578079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 14 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) -1.56 -0.42 -40.99 5 4 1 80 195.242 4
Hi High (pH 8-9.5) -1.56 -0.75 -10.48 4 4 0 78 194.234 4

Activity (Go SEA)

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