UCSF

ZINC39763809

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 25 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) 2.87 9 -21.94 1 7 0 86 439.364 6
Hi High (pH 8-9.5) 3.05 7.8 -53.93 0 7 -1 92 438.356 6

Activity (Go SEA)

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