UCSF

ZINC19883383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 0.76 6.92 -80.05 1 9 0 115 472.567 9
Lo Low (pH 4.5-6) 0.76 6.09 -60.38 2 9 1 112 473.575 9

Activity (Go SEA)

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