UCSF

ZINC33786007

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 4.27 8.91 -10.27 2 4 0 44 311.429 6
Lo Low (pH 4.5-6) 4.27 9.36 -29.24 3 4 0 46 312.437 6

Activity (Go SEA)

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