UCSF

ZINC43967885

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.28 7.25 -91.31 3 3 2 24 253.434 4
Hi High (pH 8-9.5) 2.28 4.98 -33.52 2 3 1 23 252.426 4

Activity (Go SEA)

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