UCSF

ZINC44608810

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 1.54 2.99 -38.58 3 3 1 44 256.439 7
Hi High (pH 8-9.5) 1.54 5.03 -29.63 3 3 1 43 256.439 7
Lo Low (pH 4.5-6) 1.54 5.38 -124.92 4 3 2 45 257.447 7

Activity (Go SEA)

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