UCSF

ZINC22781611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 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) 2.84 11.62 -48.36 1 5 1 52 391.539 7
Hi High (pH 8-9.5) 2.84 9.56 -11.86 0 5 0 51 390.531 7

Activity (Go SEA)

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