UCSF

ZINC41108865

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 26 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) 3.06 5.09 -48.61 0 6 -1 84 349.366 4
Lo Low (pH 4.5-6) 2.61 7.76 -10.42 1 6 0 81 350.374 4

Activity (Go SEA)

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