UCSF

ZINC43406645

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.22 6.46 -34.54 4 4 1 68 245.35 4
Mid Mid (pH 6-8) 1.22 7.44 -6.66 3 4 0 66 244.342 4
Lo Low (pH 4.5-6) 1.22 6.9 -86.64 5 4 2 69 246.358 4

Activity (Go SEA)

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