UCSF

ZINC39762258

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 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) 2.08 10.7 -20.77 1 8 0 98 435.538 7
Hi High (pH 8-9.5) 2.26 9.48 -52.9 0 8 -1 105 434.53 7

Activity (Go SEA)

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