UCSF

ZINC40123845

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 No

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) 3.15 7.28 -51.37 1 8 -1 124 393.375 7
Lo Low (pH 4.5-6) 3.15 6.52 -16.06 2 8 0 121 394.383 7

Activity (Go SEA)

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