UCSF

ZINC43514054

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 13 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) 0.57 3.15 -9.29 2 2 0 29 214.359 4
Mid Mid (pH 6-8) 0.57 4.97 -39.41 3 2 1 30 215.367 4

Activity (Go SEA)

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