UCSF

ZINC37849351

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.56 -0.29 -40.48 3 5 1 65 234.316 9
Hi High (pH 8-9.5) -0.56 -1.7 -8.32 2 5 0 60 233.308 9

Activity (Go SEA)

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