UCSF

ZINC24876797

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 29 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) 2.94 6.81 -15.15 1 8 0 93 393.447 4
Lo Low (pH 4.5-6) 2.94 7.25 -48.95 2 8 1 95 394.455 4

Activity (Go SEA)

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