UCSF

ZINC42465080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.70 5.7 -40.64 2 5 1 47 253.37 5
Hi High (pH 8-9.5) 0.70 4.22 -6.3 1 5 0 42 252.362 5
Lo Low (pH 4.5-6) 0.70 5.83 -90.56 3 5 2 48 254.378 5

Activity (Go SEA)

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