UCSF

ZINC42446756

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.44 5.87 -42.41 3 5 1 73 276.36 5
Mid Mid (pH 6-8) 1.44 4.06 -7.47 2 5 0 72 275.352 5

Activity (Go SEA)

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