UCSF

ZINC20064633

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 34 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) 2.41 6.61 -60.6 0 8 -1 85 464.542 8
Mid Mid (pH 6-8) 2.41 8.95 -74.54 1 8 0 87 465.55 8

Activity (Go SEA)

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