UCSF

ZINC36366572

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) 2.89 5.21 -14.8 2 7 0 89 399.834 4
Ref Reference (pH 7) 2.70 7.87 -14.65 2 7 0 86 399.834 4

Activity (Go SEA)

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