UCSF

ZINC40027950

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 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) 3.36 9.35 -56.25 0 6 -1 87 394.378 7
Lo Low (pH 4.5-6) 3.36 8.59 -16.79 1 6 0 84 395.386 7

Activity (Go SEA)

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