UCSF

ZINC43260458

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 41 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) 2.92 7.65 -20.03 5 8 0 120 574.747 12
Mid Mid (pH 6-8) 2.92 8.82 -54.06 6 8 1 124 575.755 12

Activity (Go SEA)

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