UCSF

ZINC43460824

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 2.65 4.75 -10.61 3 4 0 68 289.136 1
Hi High (pH 8-9.5) 2.65 4.33 -41.69 2 4 -1 66 288.128 1

Activity (Go SEA)

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