UCSF

ZINC33819274

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.76 6.14 -15.07 3 6 0 83 402.429 4
Lo Low (pH 4.5-6) 2.76 7.02 -30.8 4 6 1 84 403.437 4

Activity (Go SEA)

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