UCSF

ZINC36612895

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 25 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) 3.32 7.6 -56.04 4 5 1 78 473.185 9
Mid Mid (pH 6-8) 3.32 6.25 -14 3 5 0 74 472.177 9

Activity (Go SEA)

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