UCSF

ZINC28813654

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 21 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) 1.67 0.61 -18.3 3 6 0 99 373.228 4
Hi High (pH 8-9.5) 1.67 1.36 -45.62 2 6 -1 102 372.22 4

Activity (Go SEA)

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