UCSF

ZINC43444758

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 12 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) -0.48 -1.46 -43.62 4 3 1 51 173.28 4
Mid Mid (pH 6-8) -0.48 0.45 -35.41 4 3 1 51 173.28 4
Lo Low (pH 4.5-6) -0.48 0.77 -105.97 5 3 2 52 174.288 4

Activity (Go SEA)

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