UCSF

ZINC25400028

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 27 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) 2.82 7.55 -9.8 1 5 0 55 386.517 5
Mid Mid (pH 6-8) 2.82 9.64 -44.89 2 5 1 56 387.525 5

Activity (Go SEA)

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