UCSF

ZINC54244303

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.20 3.87 -46.78 3 3 1 46 248.133 4
Hi High (pH 8-9.5) 2.20 2.43 -6.35 2 3 0 41 247.125 4

Activity (Go SEA)

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