UCSF

ZINC52212904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 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) 1.84 1.57 -12.03 2 6 0 93 285.321 5
Hi High (pH 8-9.5) 1.84 2.57 -48.15 1 6 -1 96 284.313 5

Activity (Go SEA)

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