UCSF

ZINC36638558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 2.68 5.01 -21.48 0 6 0 76 410.561 6
Lo Low (pH 4.5-6) 2.68 6.47 -45.87 1 6 1 78 411.569 6

Activity (Go SEA)

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