UCSF

ZINC40173921

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 23 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) 2.76 6.65 -47.77 5 4 1 73 308.405 4
Hi High (pH 8-9.5) 2.76 6.37 -9.19 4 4 0 71 307.397 4

Activity (Go SEA)

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