UCSF

ZINC36278950

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 17 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) 1.68 3.08 -39.57 3 4 1 45 276.191 4
Lo Low (pH 4.5-6) 1.68 5.33 -116.75 4 4 2 46 277.199 4
Lo Low (pH 4.5-6) 1.68 3.99 -35.72 3 4 1 41 276.191 4

Activity (Go SEA)

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