UCSF

ZINC41076871

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 30 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) 5.89 13.59 -12.75 1 4 0 47 419.525 7
Lo Low (pH 4.5-6) 5.89 14.05 -37.6 2 4 1 48 420.533 7

Activity (Go SEA)

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