UCSF

ZINC40093130

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 35 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) 2.74 7.85 -56.42 1 10 -1 145 483.497 11
Lo Low (pH 4.5-6) 2.74 7.11 -16.71 2 10 0 142 484.505 11

Activity (Go SEA)

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