UCSF

ZINC42207018

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 14 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) 1.92 7.87 -38.06 1 3 1 31 200.302 8
Hi High (pH 8-9.5) 1.92 5.76 -4.09 0 3 0 30 199.294 8

Activity (Go SEA)

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