UCSF

ZINC33820169

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 30 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) 9.72 22.08 -42.96 0 2 -1 40 423.746 25
Lo Low (pH 4.5-6) 9.72 20.11 -4.61 1 2 0 37 424.754 25

Activity (Go SEA)

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