UCSF

ZINC47774871

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2010 22 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) 2.22 6.66 -10.23 0 4 0 45 300.402 6
Mid Mid (pH 6-8) 2.22 9.19 -38.52 1 4 1 47 301.41 6

Activity (Go SEA)

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