UCSF

ZINC39750911

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 34 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) 6.15 7.92 -24.88 2 7 0 97 509.374 5
Hi High (pH 8-9.5) 6.22 5.78 -68.31 1 7 -1 103 508.366 5

Activity (Go SEA)

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