UCSF

ZINC39763700

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 32 No

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) 1.79 8.19 -25.01 2 12 0 157 477.528 10
Hi High (pH 8-9.5) 1.98 6.98 -46.8 1 12 -1 163 476.52 10

Activity (Go SEA)

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