UCSF

ZINC46085163

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 24 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) 3.96 9.03 -13.91 1 5 0 64 322.364 5
Hi High (pH 8-9.5) 3.96 10.16 -68.76 0 5 -1 67 321.356 5
Hi High (pH 8-9.5) 3.96 9.58 -62.38 0 5 -1 67 321.356 5

Activity (Go SEA)

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