UCSF

ZINC39759510

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 32 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) 3.79 5.93 -27.95 2 8 0 100 427.464 6
Hi High (pH 8-9.5) 3.86 3.82 -73.88 1 8 -1 107 426.456 6

Activity (Go SEA)

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