UCSF

ZINC42916376

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 3.09 6.69 -46.06 3 2 1 37 264.295 4
Hi High (pH 8-9.5) 3.09 6.38 -4.08 2 2 0 35 263.287 4

Activity (Go SEA)

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