UCSF

ZINC43394968

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) 4.78 10.06 -35.09 2 3 1 43 290.427 5
Hi High (pH 8-9.5) 4.78 9.15 -4.2 1 3 0 38 289.419 5

Activity (Go SEA)

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