UCSF

ZINC33468870

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 16 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) 3.04 5.3 -41.9 3 2 1 37 240.754 5
Hi High (pH 8-9.5) 3.04 4.17 -3.25 2 2 0 32 239.746 5

Activity (Go SEA)

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