UCSF

ZINC24117179

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 35 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) 4.42 12.49 -73.88 1 7 0 83 478.589 12
Hi High (pH 8-9.5) 4.42 9.95 -57.81 0 7 -1 82 477.581 12

Activity (Go SEA)

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