UCSF

ZINC19904172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 No

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) 2.33 8.49 -115.33 0 7 -2 110 393.395 8
Lo Low (pH 4.5-6) 2.33 7.67 -53.67 1 7 -1 107 394.403 8

Activity (Go SEA)

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