UCSF

ZINC05720199

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 21 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) 4.14 6.13 -9.54 1 6 0 88 351.156 4
Hi High (pH 8-9.5) 4.14 6.9 -41.07 0 6 -1 90 350.148 4
Hi High (pH 8-9.5) 4.14 5.67 -32.1 0 6 -1 90 350.148 4

Activity (Go SEA)

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