UCSF

ZINC31943670

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 4.54 10.19 -11.83 0 3 0 42 308.212 2
Lo Low (pH 4.5-6) 4.54 10.6 -41.06 1 3 1 43 309.22 2

Activity (Go SEA)

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