UCSF

ZINC09725620

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2007 30 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) 4.55 6.77 -17.51 2 7 0 98 444.582 7
Lo Low (pH 4.5-6) 4.55 6.06 -40.32 3 7 0 99 445.59 7
Lo Low (pH 4.5-6) 4.55 6.86 -63.42 3 7 0 99 445.59 7

Activity (Go SEA)

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