UCSF

ZINC02586132

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 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) -0.71 3.26 -54.42 3 3 0 68 219.162 3
Hi High (pH 8-9.5) -0.71 2.92 -44.78 2 3 -1 66 218.154 3

Activity (Go SEA)

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