UCSF

ZINC36358074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 Yes

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) 2.79 5.7 -13.3 1 7 0 78 379.416 5
Ref Reference (pH 7) 2.60 8.39 -13.41 1 7 0 75 379.416 5
Mid Mid (pH 6-8) 2.61 8.84 -41.21 2 7 1 76 380.424 5

Activity (Go SEA)

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