UCSF

ZINC22159251

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) -2.45 -0.96 -61.97 2 8 -1 126 274.278 4
Hi High (pH 8-9.5) -2.45 -0.29 -100.69 1 8 -2 123 273.27 4

Activity (Go SEA)

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