UCSF

ZINC19752803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 22 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) 0.37 5.61 -126.87 4 6 2 68 306.41 6
Hi High (pH 8-9.5) 0.37 3.07 -55.87 3 6 1 67 305.402 6
Lo Low (pH 4.5-6) 0.37 6.02 -198.62 5 6 3 70 307.418 6

Activity (Go SEA)

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