UCSF

ZINC43424260

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

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) 2.24 5.38 -8.57 0 4 0 39 287.359 3
Lo Low (pH 4.5-6) 2.24 7.41 -41.74 1 4 1 40 288.367 3

Activity (Go SEA)

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