UCSF

ZINC39762921

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 26 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) 3.20 9.52 -19.49 1 9 0 119 455.319 6
Hi High (pH 8-9.5) 3.38 8.31 -40.05 0 9 -1 125 454.311 6

Activity (Go SEA)

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