UCSF

ZINC26298081

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 28 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) 4.11 11.74 -54.83 1 7 -1 82 414.536 8
Lo Low (pH 4.5-6) 3.38 11.64 -21.85 2 7 0 85 415.544 8

Activity (Go SEA)

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