UCSF

ZINC34541920

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 No

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) 2.79 7.56 -54.77 1 4 -1 69 316.421 1
Lo Low (pH 4.5-6) 2.79 5.65 -11.72 2 4 0 66 317.429 1

Activity (Go SEA)

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