UCSF

ZINC31912013

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.47 7.35 -18.75 2 9 0 120 452.558 13
Hi High (pH 8-9.5) 3.29 6.3 -39.84 1 9 -1 126 451.55 13

Activity (Go SEA)

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