UCSF

ZINC42206537

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 22 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) 2.84 8.01 -45.6 2 4 1 50 319.812 4
Hi High (pH 8-9.5) 2.84 6.79 -9.04 1 4 0 45 318.804 4

Activity (Go SEA)

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