UCSF

ZINC42736039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.31 5.61 -48.17 3 3 1 44 222.356 4
Hi High (pH 8-9.5) 2.31 5.22 -4.32 2 3 0 42 221.348 4
Hi High (pH 8-9.5) 2.31 5.65 -25.82 3 3 1 43 222.356 4

Activity (Go SEA)

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