UCSF

ZINC36975963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) -2.92 -2.52 -103.82 1 8 -2 130 251.198 2
Lo Low (pH 4.5-6) -3.37 -0.67 -56.67 2 8 -1 126 252.206 2

Activity (Go SEA)

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