UCSF

ZINC34867136

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 39 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) 4.69 11.75 -59.9 4 8 1 107 527.645 7
Mid Mid (pH 6-8) 4.69 11.43 -19.88 3 8 0 105 526.637 7

Activity (Go SEA)

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