UCSF

ZINC33820305

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 6.61 14.08 -43.55 0 2 -1 40 277.428 13
Lo Low (pH 4.5-6) 6.61 12.1 -5.35 1 2 0 37 278.436 13

Activity (Go SEA)

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