UCSF

ZINC36748930

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) 0.51 4.63 -40.1 3 5 1 52 224.332 2
Mid Mid (pH 6-8) 0.51 2.53 -24.35 3 5 1 52 224.332 2
Mid Mid (pH 6-8) 0.51 2.42 -4.65 2 5 0 50 223.324 2
Mid Mid (pH 6-8) 0.51 4.75 -80.13 4 5 2 53 225.34 2

Activity (Go SEA)

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