UCSF

ZINC57127651

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2011 26 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) 3.59 10.52 -48.6 2 4 1 43 353.486 6
Hi High (pH 8-9.5) 3.59 8.27 -11.65 1 4 0 42 352.478 6

Activity (Go SEA)

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