UCSF

ZINC12520899

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 32 Yes

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) 3.29 8.33 -14.63 1 7 0 85 454.548 8
Hi High (pH 8-9.5) 3.29 8.39 -45.38 0 7 -1 87 453.54 8

Activity (Go SEA)

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