UCSF

ZINC43390439

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) 3.58 7.18 -61.04 3 2 1 31 328.238 5
Lo Low (pH 4.5-6) 3.58 9.02 -140.68 4 2 2 32 329.246 5

Activity (Go SEA)

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