UCSF

ZINC70513139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 4.22 7.78 -90.18 4 3 2 41 288.52 14
Hi High (pH 8-9.5) 4.22 6.6 -35.37 3 3 1 37 287.512 14

Activity (Go SEA)

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