UCSF

ZINC42463562

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.69 3.39 -42.79 3 3 1 40 241.38 5
Hi High (pH 8-9.5) 0.69 2.17 -3.35 2 3 0 38 240.372 5
Mid Mid (pH 6-8) 0.69 4.67 -116.9 4 3 2 41 242.388 5

Activity (Go SEA)

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