UCSF

ZINC43971285

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 3.14 6.39 -37.59 2 3 1 29 269.453 7
Hi High (pH 8-9.5) 3.14 5.26 -1.46 1 3 0 24 268.445 7
Hi High (pH 8-9.5) 3.14 7.43 -30.02 2 3 1 26 269.453 7

Activity (Go SEA)

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