UCSF

ZINC24912323

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 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) 1.65 4.73 -48.99 2 7 1 70 381.456 3
Hi High (pH 8-9.5) 1.65 2.51 -13.23 1 7 0 69 380.448 3

Activity (Go SEA)

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