UCSF

ZINC36232230

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 2.22 3.05 -49.17 3 3 1 40 320.276 3
Hi High (pH 8-9.5) 2.22 2.7 -3.18 2 3 0 38 319.268 3

Activity (Go SEA)

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