UCSF

ZINC36753902

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) -0.45 -0.91 -48.32 6 6 1 103 277.348 4
Lo Low (pH 4.5-6) -0.45 1.27 -106.95 7 6 2 104 278.356 4

Activity (Go SEA)

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