UCSF

ZINC42207687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 3.40 10.15 -40.45 1 2 1 22 250.337 7
Hi High (pH 8-9.5) 3.40 8.19 -6.21 0 2 0 20 249.329 7

Activity (Go SEA)

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