UCSF

ZINC35580044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 21 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) 2.87 7.09 -11.73 0 5 0 51 281.315 2
Lo Low (pH 4.5-6) 2.87 7.53 -24.27 1 5 1 53 282.323 2

Activity (Go SEA)

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