UCSF

ZINC43412057

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.49 8.9 -42.44 2 3 1 25 276.429 4
Hi High (pH 8-9.5) 2.49 7.15 -12.66 1 3 0 24 275.421 4

Activity (Go SEA)

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