UCSF

ZINC43261428

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 4.15 7.24 -48.09 3 2 1 31 419.206 5
Hi High (pH 8-9.5) 4.15 8.71 -40.88 3 2 1 30 419.206 5
Hi High (pH 8-9.5) 4.15 6.52 -2.49 2 2 0 29 418.198 5

Activity (Go SEA)

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