UCSF

ZINC22120468

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) 2.17 3.76 -7.02 0 5 0 65 258.668 2
Lo Low (pH 4.5-6) 2.17 4.2 -42.61 1 5 1 66 259.676 2

Activity (Go SEA)

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