UCSF

ZINC08780203

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 23 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) 4.23 -5.17 -13.69 2 5 0 77 339.449 3
Lo Low (pH 4.5-6) 4.23 -4.99 -32.43 3 5 1 78 340.457 3
Lo Low (pH 4.5-6) 4.23 -4.95 -35.09 3 5 1 78 340.457 3

Activity (Go SEA)

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