UCSF

ZINC43900460

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 3.08 5.99 -45.38 2 2 1 20 261.311 6
Hi High (pH 8-9.5) 3.08 4.7 -3.18 1 2 0 15 260.303 6

Activity (Go SEA)

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