UCSF

ZINC44648109

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 0.34 3.34 -39.57 4 6 1 99 248.262 3
Mid Mid (pH 6-8) 0.34 1.98 -12.37 3 6 0 94 247.254 3

Activity (Go SEA)

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