UCSF

ZINC37811819

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.32 5.32 -44.05 2 4 1 40 294.444 3
Hi High (pH 8-9.5) 1.32 3.96 -9.18 1 4 0 36 293.436 3

Activity (Go SEA)

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