UCSF

ZINC37050008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) -1.73 0.75 -94.37 6 6 2 95 258.366 6
Hi High (pH 8-9.5) -1.73 -1.44 -50.36 5 6 1 94 257.358 6

Activity (Go SEA)

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