UCSF

ZINC39119532

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 19 No

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) 3.61 4.15 -24.44 4 4 1 73 253.281 0
Hi High (pH 8-9.5) 3.61 5.97 -12 3 4 0 76 252.273 0

Activity (Go SEA)

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