UCSF

ZINC22154186

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) 3.32 6.57 -39.43 4 4 1 60 298.838 7
Hi High (pH 8-9.5) 3.32 4.59 -9.56 3 4 0 58 297.83 7

Activity (Go SEA)

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