UCSF

ZINC36855119

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) -2.22 0.27 -37.8 2 6 -1 98 227.24 5
Mid Mid (pH 6-8) -2.03 -1.26 -49.79 2 6 -1 109 227.24 5
Mid Mid (pH 6-8) -2.03 -1.02 -51.86 2 6 -1 109 227.24 5

Activity (Go SEA)

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