UCSF

ZINC28367831

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 22 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) 2.87 4.45 -18.43 2 5 0 76 302.326 6
Hi High (pH 8-9.5) 2.87 5.48 -55.79 1 5 -1 79 301.318 6

Activity (Go SEA)

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