UCSF

ZINC09737267

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2007 20 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) 2.69 -5.27 -12.26 3 5 0 80 308.432 5
Lo Low (pH 4.5-6) 2.69 -5.09 -32.73 4 5 1 82 309.44 5
Lo Low (pH 4.5-6) 2.69 -5.05 -32.35 4 5 1 82 309.44 5

Activity (Go SEA)

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