UCSF

ZINC42454682

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) 1.12 5.12 -49.28 4 5 1 83 279.339 6
Hi High (pH 8-9.5) 1.12 3.07 -12.14 3 5 0 82 278.331 6

Activity (Go SEA)

Rings

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