UCSF

ZINC43494054

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 0.32 2.4 -91.42 4 3 2 36 185.315 2
Hi High (pH 8-9.5) 0.32 1.06 -32.26 3 3 1 32 184.307 2

Activity (Go SEA)

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