UCSF

ZINC39757960

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 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) 3.87 5.28 -19.29 2 9 0 110 457.49 7
Hi High (pH 8-9.5) 3.94 3.15 -61.2 1 9 -1 116 456.482 7

Activity (Go SEA)

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