UCSF

ZINC42463942

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) -0.19 4.62 -40.25 3 3 1 40 247.362 3
Mid Mid (pH 6-8) -0.19 4.36 -3.85 2 3 0 38 246.354 3
Mid Mid (pH 6-8) -0.19 6.62 -123.58 4 3 2 41 248.37 3

Activity (Go SEA)

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