UCSF

ZINC09282770

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 37 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) 7.34 16.45 -13.76 0 6 0 73 496.607 8
Lo Low (pH 4.5-6) 7.34 3.56 -31.51 1 6 1 73 497.615 8

Activity (Go SEA)

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