UCSF

ZINC34679100

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 5.17 17.93 -13.92 0 6 0 53 490.051 5
Lo Low (pH 4.5-6) 5.17 18.27 -34.1 1 6 1 54 491.059 5
Lo Low (pH 4.5-6) 5.17 18.25 -34.65 1 6 1 54 491.059 5

Activity (Go SEA)

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