UCSF

ZINC49420866

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.99 5.38 -34.77 2 5 1 46 349.495 6
Hi High (pH 8-9.5) 2.99 3.17 -5.88 1 5 0 45 348.487 6

Activity (Go SEA)

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