UCSF

ZINC35721031

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 16 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) 1.80 6.25 -58.54 1 4 -1 69 226.296 5
Lo Low (pH 4.5-6) 1.80 4.27 -13.35 2 4 0 66 227.304 5

Activity (Go SEA)

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