UCSF

ZINC59818675

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 29 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) 2.67 10.38 -41.46 0 7 -1 101 400.451 5
Hi High (pH 8-9.5) 3.25 10.06 -113.93 0 7 -2 107 399.443 5
Hi High (pH 8-9.5) 4.00 9.9 -60.08 1 7 -1 101 400.451 6

Activity (Go SEA)

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