UCSF

ZINC39748936

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 34 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) 3.61 11.55 -24.93 2 9 0 115 520.084 11
Hi High (pH 8-9.5) 3.79 10.01 -54.35 1 9 -1 121 519.076 11

Activity (Go SEA)

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