UCSF

ZINC42916152

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 4.31 8.52 -48.66 3 2 1 37 288.386 5
Hi High (pH 8-9.5) 4.31 8.58 -3.06 2 2 0 35 287.378 5

Activity (Go SEA)

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