UCSF

ZINC43700200

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 14 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) -2.65 3.02 -37.88 3 5 0 80 202.254 7
Hi High (pH 8-9.5) -2.65 0.73 -50.34 2 5 -1 79 201.246 7
Mid Mid (pH 6-8) -2.65 1.04 -42.48 3 5 0 80 202.254 7
Mid Mid (pH 6-8) -2.65 2.73 -69.65 4 5 1 81 203.262 7

Activity (Go SEA)

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