UCSF

ZINC14533142

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 32 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) 2.77 6.97 -15.42 3 9 0 119 442.516 11
Lo Low (pH 4.5-6) 2.77 7.23 -39.72 4 9 1 120 443.524 11

Activity (Go SEA)

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