UCSF

ZINC36754232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) -0.94 -2.37 -53.6 4 6 1 94 310.827 3
Lo Low (pH 4.5-6) -0.94 -0.19 -119.33 5 6 2 95 311.835 3

Activity (Go SEA)

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