UCSF

ZINC40177289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 17 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) 3.35 8.81 -44.3 2 2 1 22 249.765 4
Hi High (pH 8-9.5) 3.35 7.7 -5.43 1 2 0 17 248.757 4

Activity (Go SEA)

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