UCSF

ZINC39757528

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 35 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) 3.66 12.48 -23.59 1 9 0 104 510.645 10
Hi High (pH 8-9.5) 3.84 11.27 -56.34 0 9 -1 110 509.637 10

Activity (Go SEA)

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