UCSF

ZINC36320755

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 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) 1.36 3.78 -44.92 3 3 1 40 271.331 4
Mid Mid (pH 6-8) 1.36 4.51 -130.09 4 3 2 41 272.339 4

Activity (Go SEA)

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