UCSF

ZINC44686949

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.03 5.79 -32.86 2 5 1 56 265.333 6
Hi High (pH 8-9.5) 1.03 3.38 -5.87 1 5 0 55 264.325 6
Lo Low (pH 4.5-6) 1.03 4.55 -36.67 2 5 1 59 265.333 6

Activity (Go SEA)

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