UCSF

ZINC31684393

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 17 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) 1.47 2.4 -41.4 0 5 -1 69 234.279 2
Lo Low (pH 4.5-6) 1.01 3.22 -10.24 1 5 0 66 235.287 2

Activity (Go SEA)

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