UCSF

ZINC39042494

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 16 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) 1.82 1.65 -4.84 1 3 0 33 241.718 3
Lo Low (pH 4.5-6) 1.82 4.04 -37.17 2 3 1 34 242.726 3

Activity (Go SEA)

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