UCSF

ZINC45649948

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.32 5.62 -39.14 2 2 1 20 219.352 4
Hi High (pH 8-9.5) 2.32 6.8 -31.42 2 2 1 16 219.352 4
Hi High (pH 8-9.5) 2.32 4.44 -1.87 1 2 0 15 218.344 4

Activity (Go SEA)

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