UCSF

ZINC04989291

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 23 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) 3.37 10.36 -116.37 3 3 2 30 312.457 6
Hi High (pH 8-9.5) 3.37 9.16 -38.87 2 3 1 26 311.449 6

Activity (Go SEA)

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