UCSF

ZINC22770676

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 21 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) 1.15 5.5 -56.58 2 5 1 57 287.339 5
Hi High (pH 8-9.5) 1.15 4.07 -11.69 1 5 0 53 286.331 5

Activity (Go SEA)

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