UCSF

ZINC19719777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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 6.25 -46.06 2 5 1 56 350.439 6
Hi High (pH 8-9.5) 2.84 3.99 -13.52 1 5 0 54 349.431 6

Activity (Go SEA)

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