UCSF

ZINC22222441

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) -0.40 0.74 -43.37 5 6 1 89 280.348 4
Hi High (pH 8-9.5) -0.40 -1.48 -15.37 4 6 0 88 279.34 4

Activity (Go SEA)

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