UCSF

ZINC35743906

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 25 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) 2.19 5.86 -48.14 3 6 1 71 359.475 7
Hi High (pH 8-9.5) 2.19 3.38 -11.98 2 6 0 70 358.467 7

Activity (Go SEA)

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