UCSF

ZINC39261079

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 3.35 12.93 -19.4 0 4 0 38 369.468 6
Lo Low (pH 4.5-6) 3.35 13.29 -42.05 1 4 1 39 370.476 6

Activity (Go SEA)

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