UCSF

ZINC43700168

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) -2.69 1.9 -43.62 3 5 0 80 190.243 6
Hi High (pH 8-9.5) -2.69 -0.18 -44.55 2 5 -1 79 189.235 6
Mid Mid (pH 6-8) -2.69 0.21 -31.12 3 5 0 80 190.243 6
Mid Mid (pH 6-8) -2.69 2.22 -74.89 4 5 1 81 191.251 6

Activity (Go SEA)

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