UCSF

ZINC00417945

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 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) 1.14 4.51 -48.89 1 5 -1 82 243.242 4
Lo Low (pH 4.5-6) 1.14 4.78 -58.44 2 5 0 83 244.25 4

Activity (Go SEA)

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