UCSF

ZINC17197772

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 28 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) 7.43 10.7 -11.11 1 4 0 54 457.393 5
Ref Reference (pH 7) 6.50 11.68 -11.69 1 4 0 51 457.393 6

Activity (Go SEA)

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