UCSF

ZINC05178573

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 21 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) 2.59 6.15 -88.97 4 5 0 97 300.443 15
Lo Low (pH 4.5-6) 2.59 5.03 -56.01 5 5 1 94 301.451 15

Activity (Go SEA)

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