UCSF

ZINC36854951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) -3.24 -1.17 -45.48 2 6 -1 98 185.159 3
Mid Mid (pH 6-8) -3.05 -2.76 -52.82 2 6 -1 109 185.159 3
Mid Mid (pH 6-8) -3.05 -2.69 -56.55 2 6 -1 109 185.159 3

Activity (Go SEA)

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