UCSF

ZINC14742966

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 3.77 6.93 -15.62 3 9 0 119 442.516 11
Lo Low (pH 4.5-6) 3.77 7.22 -41.43 4 9 1 120 443.524 11

Activity (Go SEA)

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