UCSF

ZINC40112002

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 34 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) 4.16 9.38 -58.67 0 7 -1 98 502.012 8
Lo Low (pH 4.5-6) 4.16 8.62 -14.98 1 7 0 95 503.02 8

Activity (Go SEA)

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