UCSF

ZINC52893474

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 28 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) 2.46 7.95 -17.74 1 6 0 72 381.476 8
Lo Low (pH 4.5-6) 2.46 8.41 -57.9 2 6 1 73 382.484 8

Activity (Go SEA)

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