UCSF

ZINC27099566

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 39 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) 7.19 16.36 -84.43 3 5 2 48 544.761 11
Hi High (pH 8-9.5) 7.19 13.8 -41.15 2 5 1 46 543.753 11
Hi High (pH 8-9.5) 7.19 13.8 -43.78 2 5 1 46 543.753 11
Hi High (pH 8-9.5) 7.19 11.25 -12.35 1 5 0 45 542.745 11

Activity (Go SEA)

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