UCSF

ZINC37503408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 15 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) 1.16 2.69 -31.17 2 3 1 28 213.345 2
Hi High (pH 8-9.5) 1.16 0.27 -2.96 1 3 0 27 212.337 2
Lo Low (pH 4.5-6) 1.16 2.46 -30.89 2 3 1 28 213.345 2

Activity (Go SEA)

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