UCSF

ZINC44472319

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 14 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) 0.72 4.82 -85.55 3 3 2 24 199.342 4
Hi High (pH 8-9.5) 0.72 2.59 -33.43 2 3 1 23 198.334 4

Activity (Go SEA)

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