UCSF

ZINC43965411

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 1.75 2.39 -37.9 2 4 1 38 257.398 4
Lo Low (pH 4.5-6) 1.75 4.4 -111.41 3 4 2 40 258.406 4

Activity (Go SEA)

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