UCSF

ZINC19914132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 3.13 6.02 -5.44 1 3 0 34 262.74 4
Lo Low (pH 4.5-6) 3.13 6.45 -38.11 2 3 1 35 263.748 4

Activity (Go SEA)

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