UCSF

ZINC42163379

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 0.61 6.25 -29.04 1 4 0 54 201.266 6
Hi High (pH 8-9.5) 0.61 4.16 -44.64 0 4 -1 53 200.258 6

Activity (Go SEA)

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