UCSF

ZINC20776511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 27 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) 1.60 2.1 -41.54 3 6 1 61 378.537 7
Hi High (pH 8-9.5) 1.60 2.36 -41.56 3 6 1 61 378.537 7
Lo Low (pH 4.5-6) 1.60 4.51 -106.57 4 6 2 62 379.545 7

Activity (Go SEA)

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