UCSF

ZINC22009900

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 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) 3.15 5.08 -5.35 3 3 0 55 242.109 1
Lo Low (pH 4.5-6) 3.16 5.15 -33.57 4 3 1 56 243.117 1

Activity (Go SEA)

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