UCSF

ZINC44351155

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 42 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) 8.28 20.31 -91.4 4 6 2 58 584.934 27
Lo Low (pH 4.5-6) 8.28 20.36 -139.98 5 6 3 59 585.942 27
Lo Low (pH 4.5-6) 8.28 20.49 -192.84 6 6 4 61 586.95 27

Activity (Go SEA)

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