UCSF

ZINC43698731

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) 2.95 7.97 -35.94 2 2 1 25 278.441 6
Hi High (pH 8-9.5) 2.95 6.04 -4.58 1 2 0 23 277.433 6

Activity (Go SEA)

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