UCSF

ZINC59677028

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 44 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) 5.74 13.47 -103.31 4 8 2 86 596.724 2
Hi High (pH 8-9.5) 5.74 8.49 -17.03 2 8 0 84 594.708 2
Hi High (pH 8-9.5) 5.74 9.41 -68.63 1 8 -1 87 593.7 2
Mid Mid (pH 6-8) 5.74 11.07 -55.64 3 8 1 85 595.716 2

Activity (Go SEA)

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