UCSF

ZINC24985572

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 34 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) 2.76 9.05 -45.33 4 7 1 91 462.549 5
Hi High (pH 8-9.5) 2.76 8.58 -15.23 3 7 0 90 461.541 5
Lo Low (pH 4.5-6) 2.76 9.77 -55.83 4 7 1 95 462.549 5

Activity (Go SEA)

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