UCSF

ZINC29127695

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 33 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) 2.10 3.32 -60.39 5 8 1 129 482.667 11
Hi High (pH 8-9.5) 2.10 2.14 -24.78 4 8 0 125 481.659 11

Activity (Go SEA)

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