UCSF

ZINC41041216

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 1.22 7.41 -11.86 1 5 0 64 298.389 4
Hi High (pH 8-9.5) 1.68 6.25 -37.99 0 5 -1 67 297.381 4

Activity (Go SEA)

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