UCSF

ZINC40905779

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 19 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) 3.03 4.83 -49.64 3 3 1 46 262.304 5
Hi High (pH 8-9.5) 3.03 5.65 -40.68 2 3 0 49 261.296 5
Hi High (pH 8-9.5) 3.03 3.44 -6.78 2 3 0 41 261.296 5

Activity (Go SEA)

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