UCSF

ZINC20057685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 31 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) 2.90 8.98 -72.61 1 7 0 83 424.497 9
Hi High (pH 8-9.5) 2.90 6.45 -58.91 0 7 -1 82 423.489 9
Lo Low (pH 4.5-6) 2.90 8.17 -52.22 2 7 1 81 425.505 9

Activity (Go SEA)

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