UCSF

ZINC22078838

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 3.87 9.32 -39.61 2 4 1 43 317.453 5
Hi High (pH 8-9.5) 3.87 7.18 -10.78 1 4 0 42 316.445 5

Activity (Go SEA)

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