UCSF

ZINC43253555

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 1.93 5.3 -43.66 3 4 1 51 318.894 7
Hi High (pH 8-9.5) 1.93 4.58 -9.55 2 4 0 50 317.886 7
Lo Low (pH 4.5-6) 1.93 7.17 -123.7 4 4 2 52 319.902 7

Activity (Go SEA)

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