UCSF

ZINC43700211

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 13 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) -2.64 1.96 -44.28 3 5 0 80 190.243 7
Hi High (pH 8-9.5) -2.64 -0.33 -44.1 2 5 -1 79 189.235 7
Mid Mid (pH 6-8) -2.64 0.45 -30.28 3 5 0 80 190.243 7
Mid Mid (pH 6-8) -2.64 2.3 -73.92 4 5 1 81 191.251 7

Activity (Go SEA)

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