UCSF

ZINC46146858

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.86 6.9 -12.46 0 5 0 44 349.862 4
Lo Low (pH 4.5-6) 1.86 9.11 -58.43 1 5 1 45 350.87 4

Activity (Go SEA)

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