UCSF

ZINC35843622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 23 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) 3.56 9.61 -10.48 0 3 0 24 350.915 6
Mid Mid (pH 6-8) 3.56 11.34 -46.08 1 3 1 25 351.923 6

Activity (Go SEA)

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