UCSF

ZINC43412682

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.99 5.23 -31.33 4 5 1 69 266.365 6
Hi High (pH 8-9.5) 1.99 3 -6.25 3 5 0 68 265.357 6

Activity (Go SEA)

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