UCSF

ZINC31935609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.69 8.03 -57.08 1 5 -1 78 324.385 5
Lo Low (pH 4.5-6) 3.69 8.46 -80.5 2 5 0 79 325.393 5

Activity (Go SEA)

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