UCSF

ZINC04550843

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 22 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) 4.41 11.2 -44.48 0 3 -1 35 348.234 2
Mid Mid (pH 6-8) 4.41 11.5 -12.34 1 3 0 36 349.242 2

Activity (Go SEA)

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