UCSF

ZINC43428827

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) -0.96 1.71 -57.37 2 6 1 66 268.337 1
Mid Mid (pH 6-8) -0.96 0.39 -9.74 1 6 0 62 267.329 1

Activity (Go SEA)

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