UCSF

ZINC34825413

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 20 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) 2.21 5.5 -37.6 2 5 1 53 276.36 5
Hi High (pH 8-9.5) 2.21 4.06 -7.62 1 5 0 48 275.352 5

Activity (Go SEA)

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