UCSF

ZINC37516669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 17 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) -0.48 2.48 -54.61 2 6 -1 104 239.251 3
Lo Low (pH 4.5-6) -0.48 0.49 -16.66 3 6 0 101 240.259 3

Activity (Go SEA)

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