UCSF

ZINC33582791

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 31 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) 2.99 9.64 -33.2 0 7 -1 103 497.35 5
Lo Low (pH 4.5-6) 2.99 8.51 -22.4 1 7 0 100 498.358 5

Activity (Go SEA)

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