UCSF

ZINC44679466

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 14 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) 0.83 3.11 -89.38 5 3 2 44 199.342 4
Hi High (pH 8-9.5) 0.83 2.76 -28.91 4 3 1 42 198.334 4
Hi High (pH 8-9.5) 0.83 1.53 -37.72 4 3 1 46 198.334 4

Activity (Go SEA)

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