UCSF

ZINC39759952

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 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) 2.42 10.44 -18.53 1 10 0 131 439.482 7
Hi High (pH 8-9.5) 2.60 9.21 -38.15 0 10 -1 138 438.474 7

Activity (Go SEA)

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