UCSF

ZINC22938084

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 23 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) 1.51 2.24 -33.45 3 5 1 57 329.505 7
Mid Mid (pH 6-8) 1.51 2.23 -37.4 3 5 1 57 329.505 7
Mid Mid (pH 6-8) 1.51 -0.05 -6.67 2 5 0 56 328.497 7

Activity (Go SEA)

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