UCSF

ZINC41392654

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.30 3.51 -52.35 1 3 1 39 206.331 4
Mid Mid (pH 6-8) 1.30 1.24 -10.36 0 3 0 37 205.323 4

Activity (Go SEA)

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