UCSF

ZINC43394717

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.02 4.91 -34.17 4 4 1 60 278.42 8
Hi High (pH 8-9.5) 2.02 2.82 -6.87 3 4 0 58 277.412 8

Activity (Go SEA)

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