UCSF

ZINC24764017

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 26 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) 1.87 9.22 -43.42 3 5 1 68 354.474 10
Hi High (pH 8-9.5) 1.87 7.09 -13.93 2 5 0 67 353.466 10

Activity (Go SEA)

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