UCSF

ZINC35266517

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 28 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) 4.09 10.25 -24.61 2 6 0 84 394.5 8
Hi High (pH 8-9.5) 4.27 7.27 -46.4 1 6 -1 90 393.492 8

Activity (Go SEA)

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