UCSF

ZINC01128227

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 31 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) 5.09 17.42 -11.97 1 8 0 76 426.565 8
Mid Mid (pH 6-8) 5.09 17.67 -29.89 2 8 1 77 427.573 8

Activity (Go SEA)

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