UCSF

ZINC21486999

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 33 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) 3.78 11.45 -72.93 1 7 0 83 452.551 10
Hi High (pH 8-9.5) 3.78 8.91 -58.48 0 7 -1 82 451.543 10

Activity (Go SEA)

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