UCSF

ZINC24334106

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 37 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) 4.95 13.74 -75.54 1 7 0 83 500.595 10
Hi High (pH 8-9.5) 4.95 11.21 -58.37 0 7 -1 82 499.587 10

Activity (Go SEA)

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