UCSF

ZINC39227236

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 28 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) 4.76 12.46 -40.93 1 3 1 31 390.425 3
Hi High (pH 8-9.5) 4.76 11.19 -7.71 0 3 0 30 389.417 3

Activity (Go SEA)

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