UCSF

ZINC33515396

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 33 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) 2.47 9.65 -64.92 1 9 0 110 452.463 8
Hi High (pH 8-9.5) 2.47 7.14 -49.04 0 9 -1 108 451.455 8
Lo Low (pH 4.5-6) 2.47 8.36 -58.3 2 9 1 107 453.471 8

Activity (Go SEA)

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