UCSF

ZINC28049512

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 26 No

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) 2.77 6.68 -11.3 2 7 0 92 376.482 6
Mid Mid (pH 6-8) 2.78 5.75 -19.16 2 7 0 92 376.482 7

Activity (Go SEA)

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