UCSF

ZINC39230488

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 27 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) 2.58 10.97 -38.92 1 5 1 51 365.501 4
Lo Low (pH 4.5-6) 2.58 11.61 -89.92 2 5 2 52 366.509 4

Activity (Go SEA)

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