UCSF

ZINC05763496

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 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) 2.57 4.23 -40.69 1 8 -1 109 381.322 4
Lo Low (pH 4.5-6) 2.11 5.21 -22.71 2 8 0 106 382.33 4

Activity (Go SEA)

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