UCSF

ZINC16661554

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2008 25 No

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) 4.81 6.78 -10.69 2 5 0 75 354.431 3
Hi High (pH 8-9.5) 5.26 5.03 -46.85 1 5 -1 78 353.423 3
Lo Low (pH 4.5-6) 4.32 7.31 -16.15 2 5 0 71 354.431 4

Activity (Go SEA)

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