UCSF

ZINC43412257

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.52 2.59 -100.77 4 5 2 67 279.45 6
Hi High (pH 8-9.5) 0.52 0.35 -51.08 3 5 1 66 278.442 6

Activity (Go SEA)

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