UCSF

ZINC31994989

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 3.46 9.37 -105.74 3 2 2 21 280.843 4
Hi High (pH 8-9.5) 3.46 6.84 -43.12 2 2 1 20 279.835 4
Hi High (pH 8-9.5) 3.46 7.95 -41.3 2 2 1 16 279.835 4

Activity (Go SEA)

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