UCSF

ZINC43307739

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 31 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) 3.79 7.94 -52.62 6 7 1 120 439.665 17
Hi High (pH 8-9.5) 3.79 7.61 -19.6 5 7 0 119 438.657 17

Activity (Go SEA)

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