UCSF

ZINC35016801

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 2.63 6.32 -10.93 2 4 0 54 300.38 5
Mid Mid (pH 6-8) 1.88 5.15 -33.66 1 4 -1 61 299.372 4

Activity (Go SEA)

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