UCSF

ZINC44722166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 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) 0.46 5.35 -47.88 2 4 0 57 212.293 5
Hi High (pH 8-9.5) 0.46 3.07 -42.67 1 4 -1 55 211.285 5
Lo Low (pH 4.5-6) 0.46 6.35 -80.65 3 4 1 61 213.301 5
Lo Low (pH 4.5-6) 0.46 4.08 -34.63 2 4 0 60 212.293 5

Activity (Go SEA)

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