UCSF

ZINC34478016

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 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) -2.92 -0.87 -9.56 5 4 0 81 165.196 2
Mid Mid (pH 6-8) -2.92 -0.54 -44.74 6 4 1 83 166.204 2

Activity (Go SEA)

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