UCSF

ZINC46171216

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2010 24 No

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) 3.19 7.78 -39.38 3 5 1 68 336.5 5
Hi High (pH 8-9.5) 2.94 6.31 -31.54 2 5 0 72 335.492 5

Activity (Go SEA)

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