UCSF

ZINC39762365

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 29 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) 3.43 9.39 -17.55 2 9 0 130 431.861 7
Hi High (pH 8-9.5) 3.50 7.86 -41.06 1 9 -1 136 430.853 7

Activity (Go SEA)

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