UCSF

ZINC36855180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) -2.14 0.49 -41.82 2 6 -1 98 213.213 5
Mid Mid (pH 6-8) -1.96 -1.13 -55.37 2 6 -1 109 213.213 5
Mid Mid (pH 6-8) -1.96 -1.19 -52.25 2 6 -1 109 213.213 5

Activity (Go SEA)

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