UCSF

ZINC39583310

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 25 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) 4.82 10.82 -20.7 1 4 0 51 376.84 6
Hi High (pH 8-9.5) 5.01 8.46 -44.53 0 4 -1 58 375.832 6

Activity (Go SEA)

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