UCSF

ZINC37052149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) -1.32 -0.03 -8.54 3 4 0 67 226.663 2
Mid Mid (pH 6-8) -1.31 0.29 -46.14 4 4 1 68 227.671 2
Lo Low (pH 4.5-6) -1.32 0.29 -45.46 4 4 1 68 227.671 2

Activity (Go SEA)

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