UCSF

ZINC37822328

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.90 3.11 -46.83 5 5 1 91 343.245 7
Hi High (pH 8-9.5) 0.90 2.81 -13.55 4 5 0 89 342.237 7

Activity (Go SEA)

Rings

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