UCSF

ZINC34613218

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 32 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) 3.12 11.46 -70.06 1 8 -1 104 444.483 6
Mid Mid (pH 6-8) 3.12 9.46 -18.27 2 8 0 101 445.491 6
Lo Low (pH 4.5-6) 0.37 8.23 -35.21 2 8 0 107 445.491 5

Activity (Go SEA)

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