UCSF

ZINC25853977

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 29 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) 3.02 8.62 -21.21 2 6 0 76 387.439 7
Lo Low (pH 4.5-6) 3.02 9.05 -52.91 3 6 1 77 388.447 7

Activity (Go SEA)

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