UCSF

ZINC61866006

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2011 22 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) 3.95 9.07 -15.38 0 4 0 46 334.828 2
Lo Low (pH 4.5-6) 0.17 9.46 -27.09 1 4 1 45 335.836 3

Activity (Go SEA)

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