UCSF

ZINC03291439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 21 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) 3.73 9.1 -43.7 1 3 1 31 298.353 5
Hi High (pH 8-9.5) 3.73 6.92 -9.76 0 3 0 30 297.345 5

Activity (Go SEA)

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