UCSF

ZINC22715002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 23 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) 3.01 6.41 -13.37 1 5 0 66 330.409 4
Hi High (pH 8-9.5) 3.01 6.48 -40.29 0 5 -1 69 329.401 4

Activity (Go SEA)

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