UCSF

ZINC39286936

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 19 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) 1.17 7.68 -77.4 0 8 -1 121 260.185 3
Lo Low (pH 4.5-6) 1.17 6.44 -66.91 1 8 0 124 261.193 3

Activity (Go SEA)

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