UCSF

ZINC29042215

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 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) 0.48 3.94 -55.76 3 11 1 132 487.485 3
Hi High (pH 8-9.5) 0.48 1.77 -19.96 2 11 0 131 486.477 3

Activity (Go SEA)

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