UCSF

ZINC36357850

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 32 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) 5.20 9.4 -57.67 1 6 -1 93 465.938 4
Ref Reference (pH 7) 5.01 12 -51.96 1 6 -1 90 465.938 4

Activity (Go SEA)

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