UCSF

ZINC24080655

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 34 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) 3.82 12.23 -76.02 1 7 0 77 465.594 10
Hi High (pH 8-9.5) 3.82 9.71 -59.91 0 7 -1 76 464.586 10

Activity (Go SEA)

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