UCSF

ZINC25560001

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 19 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) 3.03 7.35 -13.29 1 4 0 51 274.345 4
Hi High (pH 8-9.5) 2.55 6.44 -49.9 0 4 -1 58 273.337 4

Activity (Go SEA)

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