UCSF

ZINC65976385

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2011 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) 5.84 9.25 -7.92 1 3 0 45 346.814 2
Ref Reference (pH 7) 5.84 9.67 -8.01 1 3 0 45 346.814 2
Hi High (pH 8-9.5) 6.29 8.19 -45.43 0 3 -1 48 345.806 2
Hi High (pH 8-9.5) 6.29 7.5 -46.89 0 3 -1 48 345.806 2

Activity (Go SEA)

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