UCSF

ZINC48301485

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 29 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) 4.59 10.61 -11.15 0 5 0 46 405.42 4
Lo Low (pH 4.5-6) 4.59 11.07 -42.38 1 5 1 47 406.428 4

Activity (Go SEA)

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