UCSF

ZINC42897778

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 2.09 4.36 -42.45 4 4 1 66 265.377 6
Mid Mid (pH 6-8) 2.09 4.03 -7.8 3 4 0 64 264.369 6

Activity (Go SEA)

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