UCSF

ZINC37849337

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) 1.09 2.07 -38.4 3 4 1 55 234.36 10
Hi High (pH 8-9.5) 1.09 0.58 -5.51 2 4 0 51 233.352 10

Activity (Go SEA)

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