UCSF

ZINC42685828

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 26 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) 2.58 7.2 -50.24 3 5 1 63 372.411 6
Hi High (pH 8-9.5) 2.58 5.02 -14.58 2 5 0 61 371.403 6
Hi High (pH 8-9.5) 2.77 5.47 -32.44 2 5 0 69 371.403 6

Activity (Go SEA)

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