UCSF

ZINC39649523

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 25 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) 4.36 9.21 -52.19 3 4 1 67 338.427 8
Hi High (pH 8-9.5) 4.36 8.77 -9.61 2 4 0 65 337.419 8

Activity (Go SEA)

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