UCSF

ZINC41678689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 No

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) 2.13 7.03 -9.91 1 4 0 47 298.433 4
Hi High (pH 8-9.5) 2.59 5.99 -37.72 0 4 -1 50 297.425 4

Activity (Go SEA)

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