UCSF

ZINC34617218

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 35 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) 4.86 13.5 -44 0 8 -1 97 483.577 9
Lo Low (pH 4.5-6) 4.86 13.58 -13.59 1 8 0 99 484.585 9
Lo Low (pH 4.5-6) 4.86 13.84 -46.39 1 8 0 98 484.585 9

Activity (Go SEA)

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