UCSF

ZINC40046578

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 26 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) 2.02 4.62 -62.59 1 6 -1 94 378.763 6
Lo Low (pH 4.5-6) 2.02 3.86 -14.82 2 6 0 91 379.771 6

Activity (Go SEA)

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