UCSF

ZINC30831791

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 23 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) 1.86 8.15 -44.26 0 8 -1 105 314.325 5
Lo Low (pH 4.5-6) 1.86 7.89 -21.17 1 8 0 107 315.333 5

Activity (Go SEA)

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