UCSF

ZINC58626859

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2011 40 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) 8.50 19.55 -69.1 3 9 0 139 593.783 32
Hi High (pH 8-9.5) 8.50 19.09 -51.02 2 9 -1 137 592.775 32

Activity (Go SEA)

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