UCSF

ZINC22420344

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 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) 2.09 4.85 -15.83 2 5 0 61 309.167 3
Lo Low (pH 4.5-6) 2.09 5.13 -43.85 3 5 1 62 310.175 3

Activity (Go SEA)

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