UCSF

ZINC37028050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.71 4.59 -49.05 4 4 1 70 290.412 5
Hi High (pH 8-9.5) 1.71 4.31 -13.59 3 4 0 68 289.404 5

Activity (Go SEA)

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