UCSF

ZINC51364286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 34 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) 2.24 16.02 -56.62 1 6 1 56 468.524 7
Mid Mid (pH 6-8) 2.24 13.81 -13.77 0 6 0 55 467.516 7

Activity (Go SEA)

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