UCSF

ZINC33821857

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 4.39 7.93 -40.2 0 10 -1 131 493.54 6
Mid Mid (pH 6-8) 4.54 9.88 -12.75 1 10 0 125 494.548 6

Activity (Go SEA)

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