UCSF

ZINC13756781

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 27 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) 5.92 10.29 -12.06 1 4 0 55 372.449 3
Hi High (pH 8-9.5) 5.92 11.06 -47.22 0 4 -1 57 371.441 3
Hi High (pH 8-9.5) 5.92 9.71 -46.92 0 4 -1 57 371.441 3
Lo Low (pH 4.5-6) 5.92 10.46 -26.22 2 4 1 56 373.457 3

Activity (Go SEA)

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