UCSF

ZINC34674387

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 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) 1.67 4.92 -44.02 3 5 1 81 274.344 6
Hi High (pH 8-9.5) 1.43 3.54 -36.37 2 5 0 84 273.336 6

Activity (Go SEA)

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