UCSF

ZINC22154156

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) 0.46 1.21 -56.67 5 6 1 89 281.311 4
Hi High (pH 8-9.5) 0.46 -1.17 -15.51 4 6 0 87 280.303 4

Activity (Go SEA)

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