UCSF

ZINC31966140

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 2.35 7.29 -51.63 1 6 -1 85 312.349 7
Lo Low (pH 4.5-6) 2.35 7.74 -63.73 2 6 0 87 313.357 7
Lo Low (pH 4.5-6) 2.35 6.62 -40.52 3 6 1 84 314.365 7

Activity (Go SEA)

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