UCSF

ZINC22626048

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 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) 2.43 4.76 -13.23 2 5 0 70 341.205 5
Hi High (pH 8-9.5) 2.43 5.62 -56.81 1 5 -1 72 340.197 5

Activity (Go SEA)

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