UCSF

ZINC34956768

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 1.85 5.25 -38.98 2 3 1 28 241.742 2
Mid Mid (pH 6-8) 1.85 2.91 -4.06 1 3 0 27 240.734 2

Activity (Go SEA)

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