UCSF

ZINC22449051

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 46 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) 10.02 21.89 -225.67 6 4 3 53 648.186 12
Hi High (pH 8-9.5) 10.02 22.01 -116.3 5 4 2 48 647.178 12

Activity (Go SEA)

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