UCSF

ZINC28863530

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 21 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) 5.16 7.28 -14.05 2 3 0 49 287.334 3
Hi High (pH 8-9.5) 5.16 8.31 -50.78 1 3 -1 52 286.326 3

Activity (Go SEA)

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