UCSF

ZINC34526218

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 4.37 8.28 -42.18 3 3 1 46 318.481 7
Hi High (pH 8-9.5) 4.37 7.06 -4.79 2 3 0 41 317.473 7

Activity (Go SEA)

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