UCSF

ZINC43405492

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.99 3.3 -98.31 6 5 2 88 290.411 3
Hi High (pH 8-9.5) 0.99 2.89 -46.36 5 5 1 87 289.403 3
Hi High (pH 8-9.5) 0.99 2.92 -27.82 5 5 1 86 289.403 3

Activity (Go SEA)

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