UCSF

ZINC19278653

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 1.61 6.48 -32.83 3 3 1 44 245.346 5
Hi High (pH 8-9.5) 1.61 4.36 -4.18 2 3 0 42 244.338 5
Mid Mid (pH 6-8) 1.61 4.57 -48.73 3 3 1 44 245.346 5
Lo Low (pH 4.5-6) 1.61 6.85 -121.97 4 3 2 45 246.354 5

Activity (Go SEA)

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