UCSF

ZINC11783761

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 33 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) 2.76 -1.7 -14.54 1 7 0 83 466.607 6
Lo Low (pH 4.5-6) 2.76 -1.59 -56.56 2 7 1 84 467.615 6

Activity (Go SEA)

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