UCSF

ZINC25781685

Substance Information

In ZINC since Heavy atoms Benign functionality
February 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) -0.26 0.16 -18.94 3 13 0 162 398.387 6
Mid Mid (pH 6-8) -0.26 2.57 -50 4 13 1 164 399.395 6

Activity (Go SEA)

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