UCSF

ZINC26312508

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 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) 3.36 8.44 -52.83 2 5 1 54 358.458 7
Hi High (pH 8-9.5) 3.36 7.3 -9.29 1 5 0 49 357.45 7

Activity (Go SEA)

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