UCSF

ZINC43443805

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 0.25 0.8 -18.04 4 7 0 111 259.306 8
Mid Mid (pH 6-8) 0.25 2.07 -55.63 5 7 1 115 260.314 8

Activity (Go SEA)

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