UCSF

ZINC19927090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 No

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) 2.02 6.31 -46.61 4 12 1 151 426.461 8
Hi High (pH 8-9.5) 2.02 3.81 -18.37 3 12 0 150 425.453 8

Activity (Go SEA)

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