UCSF

ZINC34660721

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 2.81 6.37 -35.59 3 4 1 55 299.822 6
Hi High (pH 8-9.5) 2.81 4.92 -9.19 2 4 0 50 298.814 6

Activity (Go SEA)

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