UCSF

ZINC33818138

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 39 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) 6.27 14.64 -40.04 3 8 1 93 527.693 13
Hi High (pH 8-9.5) 5.67 12.77 -62.87 2 8 0 100 526.685 13

Activity (Go SEA)

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