UCSF

ZINC34591118

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 3.14 10.91 -12.2 0 6 0 69 430.892 6
Mid Mid (pH 6-8) 3.14 11.83 -38.77 1 6 1 71 431.9 6

Activity (Go SEA)

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