UCSF

ZINC34660729

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 1.43 6.12 -36.99 2 4 1 46 271.768 5
Hi High (pH 8-9.5) 1.43 4.68 -10.77 1 4 0 42 270.76 5

Activity (Go SEA)

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