UCSF

ZINC44514330

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 14 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) -0.82 0.85 -103.3 4 5 2 71 198.27 3
Hi High (pH 8-9.5) -0.82 -1.36 -50.34 3 5 1 70 197.262 3

Activity (Go SEA)

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