UCSF

ZINC22150502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) -0.47 2.36 -58.08 2 5 -1 89 236.247 4
Hi High (pH 8-9.5) -0.47 3.16 -114.61 1 5 -2 92 235.239 4

Activity (Go SEA)

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