UCSF

ZINC24081059

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 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) 4.73 12.4 -71.3 1 6 0 74 450.579 9
Hi High (pH 8-9.5) 4.73 9.86 -58.98 0 6 -1 73 449.571 9

Activity (Go SEA)

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