UCSF

ZINC15421110

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.31 7.57 -30.85 1 10 0 114 497.577 5
Hi High (pH 8-9.5) 0.31 7.86 -75.7 0 10 -1 116 496.569 5

Activity (Go SEA)

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