UCSF

ZINC42890840

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 4.43 9.36 -44.08 2 1 1 17 290.358 3
Mid Mid (pH 6-8) 4.43 8.35 -4.37 1 1 0 12 289.35 3

Activity (Go SEA)

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