UCSF

ZINC36154623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 Yes

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) 4.65 9.59 -39.89 2 5 1 50 445.649 14
Hi High (pH 8-9.5) 4.65 7.58 -5.78 1 5 0 49 444.641 14
Lo Low (pH 4.5-6) 4.65 11.87 -122.03 3 5 2 51 446.657 14

Activity (Go SEA)

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