UCSF

ZINC19913769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 3.57 7.32 -7.12 2 3 0 41 343.224 2
Lo Low (pH 4.5-6) 3.57 7.63 -38.09 3 3 1 46 344.232 2

Activity (Go SEA)

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