UCSF

ZINC38722832

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 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) 3.94 13.32 -35.06 1 4 1 38 382.487 2
Hi High (pH 8-9.5) 3.94 13.02 -13.5 0 4 0 36 381.479 2

Activity (Go SEA)

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