UCSF

ZINC43262604

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.15 1.19 -46.06 4 5 1 69 351.29 8
Hi High (pH 8-9.5) 1.15 0.22 -9.25 3 5 0 68 350.282 8

Activity (Go SEA)

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