UCSF

ZINC11786244

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 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) 2.93 2.27 -56.28 1 7 1 75 414.526 9
Lo Low (pH 4.5-6) 2.93 2.38 -90.87 2 7 2 76 415.534 9

Activity (Go SEA)

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