UCSF

ZINC28818322

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.76 6.23 -19.65 1 4 0 55 258.302 2
Hi High (pH 8-9.5) 2.82 5.16 -48.95 0 4 -1 61 257.294 2

Activity (Go SEA)

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