UCSF

ZINC45066166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 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) 1.20 3.66 -50.74 3 3 1 44 222.356 5
Hi High (pH 8-9.5) 1.20 3.58 -3.64 2 3 0 42 221.348 5
Lo Low (pH 4.5-6) 1.20 4.92 -120.84 4 3 2 45 223.364 5

Activity (Go SEA)

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