UCSF

ZINC05121752

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 29 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) 5.08 12.96 -48.31 1 4 1 38 412.485 5
Hi High (pH 8-9.5) 5.08 10.38 -9.09 0 4 0 36 411.477 5

Activity (Go SEA)

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