UCSF

ZINC17992414

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 31 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) 4.77 8.12 -17.28 1 7 0 87 480.974 5
Ref Reference (pH 7) 3.84 7.89 -17.12 1 7 0 84 480.974 6

Activity (Go SEA)

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