UCSF

ZINC19998128

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 24 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) 1.85 6.54 -48.33 1 6 -1 73 347.395 3
Lo Low (pH 4.5-6) 1.40 7.62 -11.24 2 6 0 70 348.403 3

Activity (Go SEA)

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