UCSF

ZINC31972260

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 0.08 4.71 -58.72 1 8 -1 116 333.32 6
Lo Low (pH 4.5-6) 0.08 3.59 -23.66 2 8 0 113 334.328 6

Activity (Go SEA)

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