UCSF

ZINC40109689

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 38 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) 7.26 15.81 -59.67 0 5 -1 70 525.024 9
Lo Low (pH 4.5-6) 7.26 15.06 -13.03 1 5 0 67 526.032 9

Activity (Go SEA)

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