UCSF

ZINC26189622

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) 3.58 9.66 -47.08 1 4 1 28 370.904 3
Hi High (pH 8-9.5) 3.58 7.4 -8.49 0 4 0 27 369.896 3

Activity (Go SEA)

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