UCSF

ZINC61956422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2011 20 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) 2.90 7.98 -14.98 0 4 0 46 286.356 2
Mid Mid (pH 6-8) -0.88 8.35 -25.24 1 4 1 45 287.364 3

Activity (Go SEA)

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