UCSF

ZINC33814167

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 3.92 11.55 -54.19 0 8 -1 96 482.516 8
Lo Low (pH 4.5-6) 3.92 10.42 -24.21 1 8 0 93 483.524 8

Activity (Go SEA)

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