UCSF

ZINC05594127

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 29 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) 7.21 12.04 -13.27 0 3 0 35 372.427 2
Lo Low (pH 4.5-6) 7.21 12.31 -30.69 1 3 1 36 373.435 2
Lo Low (pH 4.5-6) 7.21 12.58 -67.71 2 3 2 38 374.443 2

Activity (Go SEA)

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