UCSF

ZINC34556838

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 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) 5.23 10.83 -21.85 4 9 0 121 449.559 5
Lo Low (pH 4.5-6) 5.23 10.77 -30.17 5 9 1 122 450.567 5
Lo Low (pH 4.5-6) 5.23 11.33 -31.56 5 9 1 122 450.567 5

Activity (Go SEA)

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